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

C13H23NO — CID 103276871

IUPAC3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol
SMILESCC1=CC(C)CC(CNC2CC(O)C2)C1
InChIInChI=1S/C13H23NO/c1-9-3-10(2)5-11(4-9)8-14-12-6-13(15)7-12/h3,9,11-15H,4-8H2,1-2H3
InChIKeyPOMZZGRGPKJHMW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.09
Rot. Bonds3

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

3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol (PubChem CID 103276871) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol
PubChem CID103276871
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol
SMILESCC1=CC(C)CC(CNC2CC(O)C2)C1
InChIInChI=1S/C13H23NO/c1-9-3-10(2)5-11(4-9)8-14-12-6-13(15)7-12/h3,9,11-15H,4-8H2,1-2H3
InChIKeyPOMZZGRGPKJHMW-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.09
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]cyclobutan-1-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol (CID 103276871) is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol is CC1=CC(C)CC(CNC2CC(O)C2)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol?
The InChIKey is POMZZGRGPKJHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-3-10(2)5-11(4-9)8-14-12-6-13(15)7-12/h3,9,11-15H,4-8H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol?
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]cyclobutan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.09, 3 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]cyclobutan-1-ol is sourced from PubChem (CID 103276871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).