[1-(propoxymethyl)cyclohexyl]methanamine

C11H23NO — CID 118947119

IUPAC[1-(propoxymethyl)cyclohexyl]methanamine
SMILESCCCOCC1(CN)CCCCC1
InChIInChI=1S/C11H23NO/c1-2-8-13-10-11(9-12)6-4-3-5-7-11/h2-10,12H2,1H3
InChIKeyLEQYSNFHQSFNFT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds5

About [1-(propoxymethyl)cyclohexyl]methanamine

[1-(propoxymethyl)cyclohexyl]methanamine (PubChem CID 118947119) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-(propoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(propoxymethyl)cyclohexyl]methanamine
PubChem CID118947119
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-(propoxymethyl)cyclohexyl]methanamine
SMILESCCCOCC1(CN)CCCCC1
InChIInChI=1S/C11H23NO/c1-2-8-13-10-11(9-12)6-4-3-5-7-11/h2-10,12H2,1H3
InChIKeyLEQYSNFHQSFNFT-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(propoxymethyl)cyclohexyl]methanamine 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 [1-(propoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(propoxymethyl)cyclohexyl]methanamine (CID 118947119) is [1-(propoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(propoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(propoxymethyl)cyclohexyl]methanamine is CCCOCC1(CN)CCCCC1.
What is the InChIKey of [1-(propoxymethyl)cyclohexyl]methanamine?
The InChIKey is LEQYSNFHQSFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-8-13-10-11(9-12)6-4-3-5-7-11/h2-10,12H2,1H3.
What are the key properties of [1-(propoxymethyl)cyclohexyl]methanamine?
[1-(propoxymethyl)cyclohexyl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 118947119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).