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Chemical ID: 3861757

Chemical ID:

3861757

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4

InChi [?]:

InChI=1/C19H21N3/c1-14-9-11-15(12-10-14)18-19(20-16-6-2-3-7-16)22-13-5-4-8-17(22)21-18/h4-5,8-13,16,20H,2-3,6-7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,21,13,12,19,22,14,3,7,4,6,11,2,5,18,15,8,9,17,16,10/E:(2,3)(6,7)(9,10)(11,12)/rA:22nCCCCCCCCCNCCCCCNNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5809
Area:	485.861
Solvation:	-1.56563
Coulombic:	-26.067

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	291.39
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	4.78
LogP (Chemaxon):	4.6

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

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Chemical Mix	Source	External ID	Descriptor	Value