3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol

C14H23NO — CID 43792303

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C14H23NO/c16-14-3-1-2-13(8-14)15-9-12-7-10-4-5-11(12)6-10/h4-5,10-16H,1-3,6-9H2
InChIKeyUWMHXDYCGZGBHL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.09
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol (PubChem CID 43792303) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol
PubChem CID43792303
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C14H23NO/c16-14-3-1-2-13(8-14)15-9-12-7-10-4-5-11(12)6-10/h4-5,10-16H,1-3,6-9H2
InChIKeyUWMHXDYCGZGBHL-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.09
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 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol (CID 43792303) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol is OC1CCCC(NCC2CC3C=CC2C3)C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol?
The InChIKey is UWMHXDYCGZGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14-3-1-2-13(8-14)15-9-12-7-10-4-5-11(12)6-10/h4-5,10-16H,1-3,6-9H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 43792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).