2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine

C10H19NO — CID 62455728

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine
SMILESCC1CC=CCC1COCCN
InChIInChI=1S/C10H19NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8,11H2,1H3
InChIKeyKXFTZMRAXGNIFF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds4

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine

2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine (PubChem CID 62455728) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine
PubChem CID62455728
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine
SMILESCC1CC=CCC1COCCN
InChIInChI=1S/C10H19NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8,11H2,1H3
InChIKeyKXFTZMRAXGNIFF-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
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 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine 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 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine (CID 62455728) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine is CC1CC=CCC1COCCN.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine?
The InChIKey is KXFTZMRAXGNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8,11H2,1H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanamine is sourced from PubChem (CID 62455728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).