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Chemical ID: 3865186

Chemical ID:

3865186

Name [?]:

N-cyclopentyl-8-(4-dimethylaminophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine

SMILES [?]:

CN(C)c1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4

InChi [?]:

InChI=1/C20H24N4/c1-23(2)17-12-10-15(11-13-17)19-20(21-16-7-3-4-8-16)24-14-6-5-9-18(24)22-19/h5-6,9-14,16,21H,3-4,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,22,23,15,14,21,24,16,6,8,5,9,13,7,20,4,17,10,11,19,18,2,12/E:(1,2)(3,4)(7,8)(10,11)(12,13)/rA:24nCNCCCCCCCCCNCCCCCNNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;d13;s14;d15;s12s16;s10d17;s11;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0385
Area:	524.997
Solvation:	-2.0864
Coulombic:	-31.5242

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	320.432
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.55
LogP (Chemaxon):	4.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value