Chemical ID: 3968537

CC(Cc1ccccc1)N(C)CC#C
Chemical ID:
3968537
Name [?]:
N-methyl-N-(1-methyl-2-phenyl-ethyl)-prop-2-yn-1-amine
SMILES [?]:
CC(Cc1ccccc1)N(C)CC#C
InChi [?]:
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:14,1,11,13,7,6,8,5,9,12,3,2,4,10/E:(6,7)(8,9)/rA:14cCCCCCCCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.99444
Area:384.99
Solvation:-1.63032
Coulombic:-8.93645
Bond Count [?]
All:14
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:187.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.66
LogP (Chemaxon):2.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue