Chemical ID: 4685858

CC(C)C(CNCc1ccccc1)N
Chemical ID:
4685858
Name [?]:
N-benzyl-3-methyl-butane-1,2-diamine
SMILES [?]:
CC(C)C(CNCc1ccccc1)N
InChi [?]:
InChI=1/C12H20N2/c1-10(2)12(13)9-14-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,9,13,7,5,2,8,4,14,6/E:(1,2)(4,5)(6,7)/rA:14cCCCCCNCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.68928
Area:401.501
Solvation:-1.34824
Coulombic:-23.3759
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.301
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.87
LogP (Chemaxon):2.07

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Descriptor Annotations

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