(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine

C17H31N — CID 124676145

IUPAC(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/C[C@H](N)C1CCCCC1
InChIInChI=1S/C17H31N/c1-14(2)8-7-9-15(3)12-13-17(18)16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13,18H2,1-3H3/b15-12+/t17-/m0/s1
InChIKeyTYKZEBDQWJLYGF-VMEIHUARSA-N
MW249.44 g/mol
LogP4.98
Rot. Bonds6

About (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine

(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine (PubChem CID 124676145) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine.

Molecular Properties

Compound Name(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
PubChem CID124676145
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/C[C@H](N)C1CCCCC1
InChIInChI=1S/C17H31N/c1-14(2)8-7-9-15(3)12-13-17(18)16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13,18H2,1-3H3/b15-12+/t17-/m0/s1
InChIKeyTYKZEBDQWJLYGF-VMEIHUARSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tricyclohexyl(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphanium bromide
CID 160956477
(5E)-6,10-dimethylundeca-5,9-dien-3-amine
CID 170888547
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-triene-1,2-diamine
CID 90116637
3,7-dimethylocta-2,6-dienyl cyclohexanecarboxylate
CID 54106608
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 70435115
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane
CID 154452544
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
1-cyclooctylbut-3-en-1-amine
CID 80604015

Frequently Asked Questions

What is the IUPAC name of (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine?
The IUPAC name of (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine (CID 124676145) is (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine.
What is the SMILES notation for (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine?
The canonical SMILES for (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine is CC(C)=CCC/C(C)=C/C[C@H](N)C1CCCCC1.
What is the InChIKey of (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine?
The InChIKey is TYKZEBDQWJLYGF-VMEIHUARSA-N. The full InChI is InChI=1S/C17H31N/c1-14(2)8-7-9-15(3)12-13-17(18)16-10-5-4-6-11-16/h8,12,16-17H,4-7,9-11,13,18H2,1-3H3/b15-12+/t17-/m0/s1.
What are the key properties of (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine?
(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine is sourced from PubChem (CID 124676145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).