1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol

C15H25NO — CID 65115100

IUPAC1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CC3CC=CC32)CC1
InChIInChI=1S/C15H25NO/c1-11-5-7-15(17,8-6-11)10-16-14-9-12-3-2-4-13(12)14/h2,4,11-14,16-17H,3,5-10H2,1H3
InChIKeyVYISWAJYMAAOMS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.48
Rot. Bonds3

About 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol

1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115100) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65115100
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CC3CC=CC32)CC1
InChIInChI=1S/C15H25NO/c1-11-5-7-15(17,8-6-11)10-16-14-9-12-3-2-4-13(12)14/h2,4,11-14,16-17H,3,5-10H2,1H3
InChIKeyVYISWAJYMAAOMS-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.48
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-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol (CID 65115100) is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC2CC3CC=CC32)CC1.
What is the InChIKey of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is VYISWAJYMAAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-5-7-15(17,8-6-11)10-16-14-9-12-3-2-4-13(12)14/h2,4,11-14,16-17H,3,5-10H2,1H3.
What are the key properties of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).