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

C16H27NO — CID 65106983

IUPAC1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h5-6,12-15,17-18H,2-4,7-11H2,1H3
InChIKeyLSYJJODQGVAVFM-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.87
Rot. Bonds4

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

1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65106983) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65106983
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h5-6,12-15,17-18H,2-4,7-11H2,1H3
InChIKeyLSYJJODQGVAVFM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol (CID 65106983) is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1(O)CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is LSYJJODQGVAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h5-6,12-15,17-18H,2-4,7-11H2,1H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.87, 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]cyclohexan-1-ol is sourced from PubChem (CID 65106983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).