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

C16H29NO — CID 103276742

IUPAC[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol
SMILESCC1=CC(C)CC(CNC2(CO)CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-13-8-14(2)10-15(9-13)11-17-16(12-18)6-4-3-5-7-16/h8,13,15,17-18H,3-7,9-12H2,1-2H3
InChIKeyQGMIBHCOKZXADV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.26
Rot. Bonds4

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

[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol (PubChem CID 103276742) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol
PubChem CID103276742
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol
SMILESCC1=CC(C)CC(CNC2(CO)CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-13-8-14(2)10-15(9-13)11-17-16(12-18)6-4-3-5-7-16/h8,13,15,17-18H,3-7,9-12H2,1-2H3
InChIKeyQGMIBHCOKZXADV-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.26
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]cyclohexyl]methanol?
The IUPAC name of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol (CID 103276742) is [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol is CC1=CC(C)CC(CNC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol?
The InChIKey is QGMIBHCOKZXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13-8-14(2)10-15(9-13)11-17-16(12-18)6-4-3-5-7-16/h8,13,15,17-18H,3-7,9-12H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol?
[1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclohexyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 3.26, 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]cyclohexyl]methanol is sourced from PubChem (CID 103276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).