Chemical ID: 7104900

CCCCCNCc1ccc(cc1)N(CC)CC
Chemical ID:
7104900
Name [?]:
N,N-diethyl-4-(pentylaminomethyl)aniline
SMILES [?]:
CCCCCNCc1ccc(cc1)N(CC)CC
InChi [?]:
InChI=1/C16H28N2/c1-4-7-8-13-17-14-15-9-11-16(12-10-15)18(5-2)6-3/h9-12,17H,4-8,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,18,2,15,17,3,4,9,13,10,12,5,7,8,11,6,14/E:(2,3)(5,6)(9,10)(11,12)/rA:18nCCCCCNCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2
All Atoms:46
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:11.1166
Area:503.373
Solvation:-1.46767
Coulombic:-17.3199
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:248.407
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.51
LogP (Chemaxon):4.13

Name Annotations

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Descriptor Annotations

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