Chemical ID: 4964811

CCCCNC(CC)c1ccccc1
Chemical ID:
4964811
Name [?]:
N-(1-phenylpropyl)butan-1-amine
SMILES [?]:
CCCCNC(CC)c1ccccc1
InChi [?]:
InChI=1/C13H21N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h6-10,13-14H,3-5,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,7,3,12,11,13,10,14,4,9,6,5/E:(7,8)(9,10)/rA:14cCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.39159
Area:408.557
Solvation:-0.822323
Coulombic:-12.1731
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:191.313
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.77
LogP (Chemaxon):3.66

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Descriptor Annotations

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