2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol

C16H29NO — CID 103276837

IUPAC2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCCCC2O)C1
InChIInChI=1S/C16H29NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7,12,14-18H,3-6,8-11H2,1-2H3
InChIKeyWWUYSLIVCQRVGO-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.12
Rot. Bonds4

About 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103276837) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103276837
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCCCC2O)C1
InChIInChI=1S/C16H29NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7,12,14-18H,3-6,8-11H2,1-2H3
InChIKeyWWUYSLIVCQRVGO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol (CID 103276837) is 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol is CC1=CC(C)CC(CNCC2CCCCC2O)C1.
What is the InChIKey of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WWUYSLIVCQRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7,12,14-18H,3-6,8-11H2,1-2H3.
What are the key properties of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103276837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).