3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine

C14H27NO3 — CID 114019019

IUPAC3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOC2)C1OCCC
InChIInChI=1S/C14H27NO3/c1-3-6-15-12-9-13(14(12)17-7-4-2)18-11-5-8-16-10-11/h11-15H,3-10H2,1-2H3
InChIKeyBADPDEYYIINSDE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.73
Rot. Bonds8

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

3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 114019019) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID114019019
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOC2)C1OCCC
InChIInChI=1S/C14H27NO3/c1-3-6-15-12-9-13(14(12)17-7-4-2)18-11-5-8-16-10-11/h11-15H,3-10H2,1-2H3
InChIKeyBADPDEYYIINSDE-UHFFFAOYSA-N
XLogP1.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine (CID 114019019) is 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCOC2)C1OCCC.
What is the InChIKey of 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is BADPDEYYIINSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-6-15-12-9-13(14(12)17-7-4-2)18-11-5-8-16-10-11/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine?
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 114019019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).