1-(cycloocten-1-yl)-N-ethylhexan-1-amine

C16H31N — CID 106656805

IUPAC1-(cycloocten-1-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)C1=CCCCCCC1
InChIInChI=1S/C16H31N/c1-3-5-9-14-16(17-4-2)15-12-10-7-6-8-11-13-15/h12,16-17H,3-11,13-14H2,1-2H3
InChIKeyNYDMXZPNAIKPNN-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.83
Rot. Bonds7

About 1-(cycloocten-1-yl)-N-ethylhexan-1-amine

1-(cycloocten-1-yl)-N-ethylhexan-1-amine (PubChem CID 106656805) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-ethylhexan-1-amine
PubChem CID106656805
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cycloocten-1-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)C1=CCCCCCC1
InChIInChI=1S/C16H31N/c1-3-5-9-14-16(17-4-2)15-12-10-7-6-8-11-13-15/h12,16-17H,3-11,13-14H2,1-2H3
InChIKeyNYDMXZPNAIKPNN-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366
1-(cycloocten-1-yl)nonylhydrazine
CID 106649991
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-N-ethylhexan-1-amine (CID 106656805) is 1-(cycloocten-1-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-ethylhexan-1-amine is CCCCCC(NCC)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-ethylhexan-1-amine?
The InChIKey is NYDMXZPNAIKPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-5-9-14-16(17-4-2)15-12-10-7-6-8-11-13-15/h12,16-17H,3-11,13-14H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-N-ethylhexan-1-amine?
1-(cycloocten-1-yl)-N-ethylhexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-ethylhexan-1-amine is sourced from PubChem (CID 106656805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).