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

C17H29NO — CID 65115383

IUPAC1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)C2CC3C=CC2C3)CC1
InChIInChI=1S/C17H29NO/c1-12-5-7-17(19,8-6-12)11-18-13(2)16-10-14-3-4-15(16)9-14/h3-4,12-16,18-19H,5-11H2,1-2H3
InChIKeySLKGYQVBCLEMES-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.12
Rot. Bonds4

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

1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115383) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115383
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)C2CC3C=CC2C3)CC1
InChIInChI=1S/C17H29NO/c1-12-5-7-17(19,8-6-12)11-18-13(2)16-10-14-3-4-15(16)9-14/h3-4,12-16,18-19H,5-11H2,1-2H3
InChIKeySLKGYQVBCLEMES-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.12
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-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115383) is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC(C)C2CC3C=CC2C3)CC1.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is SLKGYQVBCLEMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-5-7-17(19,8-6-12)11-18-13(2)16-10-14-3-4-15(16)9-14/h3-4,12-16,18-19H,5-11H2,1-2H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).