Chemical ID: 4669918

CC(C)C(CC=C)NC(C)c1ccccc1
Chemical ID:
4669918
Name [?]:
2-methyl-N-(1-phenylethyl)hex-5-en-3-amine
SMILES [?]:
CC(C)C(CC=C)NC(C)c1ccccc1
InChi [?]:
InChI=1/C15H23N/c1-5-9-15(12(2)3)16-13(4)14-10-7-6-8-11-14/h5-8,10-13,15-16H,1,9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:7,1,3,10,6,14,13,15,5,12,16,2,9,11,4,8/E:(2,3)(7,8)(10,11)/rA:16cCCCCCCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s4;s8;s9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:9.57524
Area:419.938
Solvation:-0.923205
Coulombic:-13.5576
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:217.35
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):4.26

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Descriptor Annotations

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