1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

C15H27NO — CID 65116829

IUPAC1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC2CC=CCC2)C1
InChIInChI=1S/C15H27NO/c1-13-6-5-9-15(17,10-13)12-16-11-14-7-3-2-4-8-14/h2-3,13-14,16-17H,4-12H2,1H3
InChIKeyQAUGTQHQWHSIHY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.87
Rot. Bonds4

About 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65116829) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65116829
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC2CC=CCC2)C1
InChIInChI=1S/C15H27NO/c1-13-6-5-9-15(17,10-13)12-16-11-14-7-3-2-4-8-14/h2-3,13-14,16-17H,4-12H2,1H3
InChIKeyQAUGTQHQWHSIHY-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
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-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (CID 65116829) is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCC2CC=CCC2)C1.
What is the InChIKey of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QAUGTQHQWHSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-6-5-9-15(17,10-13)12-16-11-14-7-3-2-4-8-14/h2-3,13-14,16-17H,4-12H2,1H3.
What are the key properties of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 237.39 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-[(cyclohex-3-en-1-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65116829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).