[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine

C14H25N — CID 116659370

IUPAC[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(C2=CCCCC2)CC1
InChIInChI=1S/C14H25N/c1-12-7-9-14(11-15,10-8-12)13-5-3-2-4-6-13/h5,12H,2-4,6-11,15H2,1H3
InChIKeyLKECLEFKUDXIOR-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.64
Rot. Bonds2

About [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine

[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine (PubChem CID 116659370) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine
PubChem CID116659370
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(C2=CCCCC2)CC1
InChIInChI=1S/C14H25N/c1-12-7-9-14(11-15,10-8-12)13-5-3-2-4-6-13/h5,12H,2-4,6-11,15H2,1H3
InChIKeyLKECLEFKUDXIOR-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine (CID 116659370) is [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(C2=CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is LKECLEFKUDXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12-7-9-14(11-15,10-8-12)13-5-3-2-4-6-13/h5,12H,2-4,6-11,15H2,1H3.
What are the key properties of [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine?
[1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 207.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 116659370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).