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Chemical ID: 4953077

Chemical ID:

4953077

Name [?]:

N-(4-diethylamino-1-methyl-butyl)-N',N'-dimethyl-quinoline-4,6-diamine

SMILES [?]:

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

InChi [?]:

InChI=1/C20H32N4/c1-6-24(7-2)14-8-9-16(3)22-20-12-13-21-19-11-10-17(23(4)5)15-18(19)20/h10-13,15-16H,6-9,14H2,1-5H3,(H,21,22)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₀H₃₂N₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2241
Area:	589.362
Solvation:	-2.50996
Coulombic:	-28.2866

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	328.495
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.85
LogP (Chemaxon):	3.55

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