1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine

C14H27N — CID 62080150

IUPAC1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)C1=CCCCC1
InChIInChI=1S/C14H27N/c1-4-15-14(11-10-12(2)3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyGFJGHQPLSTVDNW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 62080150) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
PubChem CID62080150
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)C1=CCCCC1
InChIInChI=1S/C14H27N/c1-4-15-14(11-10-12(2)3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyGFJGHQPLSTVDNW-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
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

1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
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CID 106652652
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 106653430
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine (CID 62080150) is 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is GFJGHQPLSTVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-15-14(11-10-12(2)3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 6 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-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 62080150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).