1-(propoxymethyl)cycloheptan-1-amine

C11H23NO — CID 64548751

IUPAC1-(propoxymethyl)cycloheptan-1-amine
SMILESCCCOCC1(N)CCCCCC1
InChIInChI=1S/C11H23NO/c1-2-9-13-10-11(12)7-5-3-4-6-8-11/h2-10,12H2,1H3
InChIKeyYDQBWWKRZFDUBT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.46
Rot. Bonds4

About 1-(propoxymethyl)cycloheptan-1-amine

1-(propoxymethyl)cycloheptan-1-amine (PubChem CID 64548751) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(propoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(propoxymethyl)cycloheptan-1-amine
PubChem CID64548751
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(propoxymethyl)cycloheptan-1-amine
SMILESCCCOCC1(N)CCCCCC1
InChIInChI=1S/C11H23NO/c1-2-9-13-10-11(12)7-5-3-4-6-8-11/h2-10,12H2,1H3
InChIKeyYDQBWWKRZFDUBT-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(propoxymethyl)cycloheptan-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 1-(propoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(propoxymethyl)cycloheptan-1-amine (CID 64548751) is 1-(propoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(propoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(propoxymethyl)cycloheptan-1-amine is CCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-(propoxymethyl)cycloheptan-1-amine?
The InChIKey is YDQBWWKRZFDUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-9-13-10-11(12)7-5-3-4-6-8-11/h2-10,12H2,1H3.
What are the key properties of 1-(propoxymethyl)cycloheptan-1-amine?
1-(propoxymethyl)cycloheptan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64548751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).