3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine

C15H29NO3 — CID 107943605

IUPAC3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOCC2)C1OCCC
InChIInChI=1S/C15H29NO3/c1-3-7-16-13-11-14(15(13)18-8-4-2)19-12-5-9-17-10-6-12/h12-16H,3-11H2,1-2H3
InChIKeyYJAZHXZXWXFCSO-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.12
Rot. Bonds8

About 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine

3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 107943605) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID107943605
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOCC2)C1OCCC
InChIInChI=1S/C15H29NO3/c1-3-7-16-13-11-14(15(13)18-8-4-2)19-12-5-9-17-10-6-12/h12-16H,3-11H2,1-2H3
InChIKeyYJAZHXZXWXFCSO-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-4-yloxy)-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

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine (CID 107943605) is 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCOCC2)C1OCCC.
What is the InChIKey of 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is YJAZHXZXWXFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-7-16-13-11-14(15(13)18-8-4-2)19-12-5-9-17-10-6-12/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107943605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).