1-(cyclohexen-1-yl)-N-ethyloctan-1-amine

C16H31N — CID 63506129

IUPAC1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)C1=CCCCC1
InChIInChI=1S/C16H31N/c1-3-5-6-7-11-14-16(17-4-2)15-12-9-8-10-13-15/h12,16-17H,3-11,13-14H2,1-2H3
InChIKeyLDXORJOGVXYFGJ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.83
Rot. Bonds9

About 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine

1-(cyclohexen-1-yl)-N-ethyloctan-1-amine (PubChem CID 63506129) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
PubChem CID63506129
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)C1=CCCCC1
InChIInChI=1S/C16H31N/c1-3-5-6-7-11-14-16(17-4-2)15-12-9-8-10-13-15/h12,16-17H,3-11,13-14H2,1-2H3
InChIKeyLDXORJOGVXYFGJ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
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)heptan-1-amine
CID 114752507
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(1,1,1-trimethoxynonan-2-yl)cyclohexene
CID 150382161
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine (CID 63506129) is 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine?
The InChIKey is LDXORJOGVXYFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-5-6-7-11-14-16(17-4-2)15-12-9-8-10-13-15/h12,16-17H,3-11,13-14H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine?
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyloctan-1-amine is sourced from PubChem (CID 63506129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).