3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine

C9H17NO — CID 130595881

IUPAC3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine
SMILESCOCC1=CC(N)CC(C)C1
InChIInChI=1S/C9H17NO/c1-7-3-8(6-11-2)5-9(10)4-7/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeyHPILPNFCLIIAPY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds2

About 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine

3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine (PubChem CID 130595881) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine
PubChem CID130595881
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine
SMILESCOCC1=CC(N)CC(C)C1
InChIInChI=1S/C9H17NO/c1-7-3-8(6-11-2)5-9(10)4-7/h5,7,9H,3-4,6,10H2,1-2H3
InChIKeyHPILPNFCLIIAPY-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)-5-methylcyclohex-2-en-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-(methoxymethyl)-5-methylcyclohex-2-en-1-amine?
The IUPAC name of 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine (CID 130595881) is 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine is COCC1=CC(N)CC(C)C1.
What is the InChIKey of 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine?
The InChIKey is HPILPNFCLIIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-3-8(6-11-2)5-9(10)4-7/h5,7,9H,3-4,6,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine?
3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 130595881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).