[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol

C17H31NO — CID 103276744

IUPAC[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1=CC(C)CC(CNC2(CO)CCCC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-13-5-4-6-17(10-13,12-19)18-11-16-8-14(2)7-15(3)9-16/h7,13-14,16,18-19H,4-6,8-12H2,1-3H3
InChIKeyXLWCRPGAKAWVRR-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.51
Rot. Bonds4

About [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol

[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 103276744) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID103276744
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1=CC(C)CC(CNC2(CO)CCCC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-13-5-4-6-17(10-13,12-19)18-11-16-8-14(2)7-15(3)9-16/h7,13-14,16,18-19H,4-6,8-12H2,1-3H3
InChIKeyXLWCRPGAKAWVRR-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.51
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-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol (CID 103276744) is [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol is CC1=CC(C)CC(CNC2(CO)CCCC(C)C2)C1.
What is the InChIKey of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is XLWCRPGAKAWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13-5-4-6-17(10-13,12-19)18-11-16-8-14(2)7-15(3)9-16/h7,13-14,16,18-19H,4-6,8-12H2,1-3H3.
What are the key properties of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 265.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 103276744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).