Chemical ID: 4557961

CC1c2ccccc2C3(CCCC3)CN1
Chemical ID:
4557961
Name [?]:
None
SMILES [?]:
CC1c2ccccc2C3(CCCC3)CN1
InChi [?]:
InChI=1/C14H19N/c1-11-12-6-2-3-7-13(12)14(10-15-11)8-4-5-9-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,11,12,4,7,10,13,14,2,3,8,9,15/E:(4,5)(8,9)/rA:15cCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;s9;s2s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.06678
Area:359.933
Solvation:-0.931551
Coulombic:-11.1201
Bond Count [?]
All:17
Single:14
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.307
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):3.16

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