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Chemical ID: 4954546

Chemical ID:

4954546

Name [?]:

N,N-diethyl-N'-[3-(8-quinolylamino)propyl]pentane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(C)NCCCNc1cccc2c1nccc2

InChi [?]:

InChI=1/C21H34N4/c1-4-25(5-2)17-8-10-18(3)22-15-9-16-23-20-13-6-11-19-12-7-14-24-21(19)20/h6-7,11-14,18,22-23H,4-5,8-10,15-17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,10,2,4,18,24,7,13,8,19,25,17,23,12,14,6,9,20,16,21,11,15,22,3/E:(1,2)(4,5)/rA:25cCCNCCCCCCCNCCCNCCCCCCNCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₄N₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	13.1519
Area:	634.081
Solvation:	-2.70011
Coulombic:	-32.0899

Bond Count [?]

All:	26
Single:	21
Double:	5
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	342.522
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.62
LogP (Chemaxon):	2.96

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