1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol

C16H27NO — CID 65115418

IUPAC1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H27NO/c1-12-4-6-16(18,7-5-12)11-17-10-15-9-13-2-3-14(15)8-13/h2-3,12-15,17-18H,4-11H2,1H3
InChIKeyFWHVUMZBCQXSNE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.73
Rot. Bonds4

About 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115418) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65115418
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H27NO/c1-12-4-6-16(18,7-5-12)11-17-10-15-9-13-2-3-14(15)8-13/h2-3,12-15,17-18H,4-11H2,1H3
InChIKeyFWHVUMZBCQXSNE-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol (CID 65115418) is 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is FWHVUMZBCQXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-4-6-16(18,7-5-12)11-17-10-15-9-13-2-3-14(15)8-13/h2-3,12-15,17-18H,4-11H2,1H3.
What are the key properties of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).