[1-(3-ethoxypropoxy)cycloheptyl]methanamine

C13H27NO2 — CID 65176333

IUPAC[1-(3-ethoxypropoxy)cycloheptyl]methanamine
SMILESCCOCCCOC1(CN)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-2-15-10-7-11-16-13(12-14)8-5-3-4-6-9-13/h2-12,14H2,1H3
InChIKeySDVNCLYELAVTFV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.48
Rot. Bonds7

About [1-(3-ethoxypropoxy)cycloheptyl]methanamine

[1-(3-ethoxypropoxy)cycloheptyl]methanamine (PubChem CID 65176333) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-(3-ethoxypropoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypropoxy)cycloheptyl]methanamine
PubChem CID65176333
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-(3-ethoxypropoxy)cycloheptyl]methanamine
SMILESCCOCCCOC1(CN)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-2-15-10-7-11-16-13(12-14)8-5-3-4-6-9-13/h2-12,14H2,1H3
InChIKeySDVNCLYELAVTFV-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(3-ethoxypropoxy)cycloheptyl]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-(3-ethoxypropoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(3-ethoxypropoxy)cycloheptyl]methanamine (CID 65176333) is [1-(3-ethoxypropoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(3-ethoxypropoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(3-ethoxypropoxy)cycloheptyl]methanamine is CCOCCCOC1(CN)CCCCCC1.
What is the InChIKey of [1-(3-ethoxypropoxy)cycloheptyl]methanamine?
The InChIKey is SDVNCLYELAVTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-15-10-7-11-16-13(12-14)8-5-3-4-6-9-13/h2-12,14H2,1H3.
What are the key properties of [1-(3-ethoxypropoxy)cycloheptyl]methanamine?
[1-(3-ethoxypropoxy)cycloheptyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypropoxy)cycloheptyl]methanamine is sourced from PubChem (CID 65176333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).