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

C13H25NO — CID 103276840

IUPAC3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol
SMILESCC1=CC(C)CC(CNCC(C)CO)C1
InChIInChI=1S/C13H25NO/c1-10-4-11(2)6-13(5-10)8-14-7-12(3)9-15/h4,10,12-15H,5-9H2,1-3H3
InChIKeyZTXHNRDXIFENPX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.20
Rot. Bonds5

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

3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 103276840) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol
PubChem CID103276840
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol
SMILESCC1=CC(C)CC(CNCC(C)CO)C1
InChIInChI=1S/C13H25NO/c1-10-4-11(2)6-13(5-10)8-14-7-12(3)9-15/h4,10,12-15H,5-9H2,1-3H3
InChIKeyZTXHNRDXIFENPX-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.20
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 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol (CID 103276840) is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol is CC1=CC(C)CC(CNCC(C)CO)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is ZTXHNRDXIFENPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-4-11(2)6-13(5-10)8-14-7-12(3)9-15/h4,10,12-15H,5-9H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol?
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 103276840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).