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Chemical ID: 4952048

Chemical ID:

4952048

Name [?]:

N,N-diethyl-N'-(7-methyl-4-quinolyl)-pentane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)C

InChi [?]:

InChI=1/C19H29N3/c1-5-22(6-2)13-7-8-16(4)21-18-11-12-20-19-14-15(3)9-10-17(18)19/h9-12,14,16H,5-8,13H2,1-4H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,5,22,10,2,4,7,8,19,18,13,14,6,21,20,9,17,12,16,15,11,3/E:(1,2)(5,6)/rA:22cCCNCCCCCCCNCCCNCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₉N₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7948
Area:	551.86
Solvation:	-2.00172
Coulombic:	-22.9119

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	299.454
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.08
LogP (Chemaxon):	3.76

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