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Chemical ID: 5116102

Chemical ID:

5116102

Name [?]:

N,N-diethyl-N'-(6-phenyl-4-quinolyl)-pentane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(C)Nc1ccnc2c1cc(cc2)c3ccccc3

InChi [?]:

InChI=1/C24H31N3/c1-4-27(5-2)17-9-10-19(3)26-24-15-16-25-23-14-13-21(18-22(23)24)20-11-7-6-8-12-20/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,5,10,2,4,25,24,26,7,8,23,27,20,21,13,14,6,18,9,22,19,17,16,12,15,11,3/E:(1,2)(4,5)(7,8)(11,12)/rA:27cCCNCCCCCCCNCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	13.4642
Area:	633.271
Solvation:	-2.36755
Coulombic:	-24.496

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	361.523
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.59
LogP (Chemaxon):	4.97

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value