Chemical ID: 5253969

CCCCN(CCCC)c1ccc(c(c1)C)N
Chemical ID:
5253969
Name [?]:
N',N'-dibutyl-2-methyl-benzene-1,4-diamine
SMILES [?]:
CCCCN(CCCC)c1ccc(c(c1)C)N
InChi [?]:
InChI=1/C15H26N2/c1-4-6-10-17(11-7-5-2)14-8-9-15(16)13(3)12-14/h8-9,12H,4-7,10-11,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,16,2,8,3,7,11,12,4,6,15,14,10,13,17,5/E:(1,2)(4,5)(6,7)(10,11)/rA:17nCCCCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H26N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.6584
Area:472.031
Solvation:-1.14239
Coulombic:-24.8079
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.38
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.34
LogP (Chemaxon):4.41

Name Annotations

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Descriptor Annotations

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