Chemical ID: 5178971

CCN(CC)CCCC(C)NCCCN(CC)CC
Chemical ID:
5178971
Name [?]:
N'-(3-diethylaminopropyl)-N,N-diethyl-pentane-1,4-diamine
SMILES [?]:
CCN(CC)CCCC(C)NCCCN(CC)CC
InChi [?]:
InChI=1/C16H37N3/c1-6-18(7-2)14-10-12-16(5)17-13-11-15-19(8-3)9-4/h16-17H,6-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,17,19,10,2,4,16,18,7,13,8,12,6,14,9,11,3,15/E:(1,2)(3,4)(6,7)(8,9)/rA:19cCCNCCCCCCCNCCCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;s14;s15;s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H37N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:12.3229
Area:562.377
Solvation:-1.73656
Coulombic:-19.5244
Bond Count [?]
All:18
Single:18
Double:0
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:271.485
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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