3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

C11H21NO — CID 60730319

IUPAC3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC1CC=CCC1COCCCN
InChIInChI=1S/C11H21NO/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-3,10-11H,4-9,12H2,1H3
InChIKeyVHFONSCNJMCCOY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds5

About 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (PubChem CID 60730319) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
PubChem CID60730319
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC1CC=CCC1COCCCN
InChIInChI=1S/C11H21NO/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-3,10-11H,4-9,12H2,1H3
InChIKeyVHFONSCNJMCCOY-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (CID 60730319) is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is CC1CC=CCC1COCCCN.
What is the InChIKey of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The InChIKey is VHFONSCNJMCCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is sourced from PubChem (CID 60730319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).