3-octoxy-2-propoxy-N-propylcyclobutan-1-amine

C18H37NO2 — CID 107943487

IUPAC3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCCCCCCOC1CC(NCCC)C1OCCC
InChIInChI=1S/C18H37NO2/c1-4-7-8-9-10-11-14-20-17-15-16(19-12-5-2)18(17)21-13-6-3/h16-19H,4-15H2,1-3H3
InChIKeyHDCXIEGPJFEPQJ-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.30
Rot. Bonds14

About 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine

3-octoxy-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 107943487) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID107943487
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCCCCCCOC1CC(NCCC)C1OCCC
InChIInChI=1S/C18H37NO2/c1-4-7-8-9-10-11-14-20-17-15-16(19-12-5-2)18(17)21-13-6-3/h16-19H,4-15H2,1-3H3
InChIKeyHDCXIEGPJFEPQJ-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-octoxy-2-propoxy-N-propylcyclobutan-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

Related Compounds

2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257
3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114018986
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine
CID 114019041
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
1-chloro-3-pentoxy-2-propoxycyclobutane
CID 107942901
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656

Frequently Asked Questions

What is the IUPAC name of 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine (CID 107943487) is 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine is CCCCCCCCOC1CC(NCCC)C1OCCC.
What is the InChIKey of 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is HDCXIEGPJFEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-8-9-10-11-14-20-17-15-16(19-12-5-2)18(17)21-13-6-3/h16-19H,4-15H2,1-3H3.
What are the key properties of 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine?
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.30, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxy-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107943487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).