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

C12H23NO2 — CID 66349797

IUPAC3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-5-13-10-8-12(9-10)15-11-3-6-14-7-4-11/h10-13H,2-9H2,1H3
InChIKeyUBYGPSRKCYJEKH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds5

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

3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine (PubChem CID 66349797) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine
PubChem CID66349797
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-5-13-10-8-12(9-10)15-11-3-6-14-7-4-11/h10-13H,2-9H2,1H3
InChIKeyUBYGPSRKCYJEKH-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyloxan-4-amine
CID 18348908
3-(oxetan-3-yloxy)-N-propylcyclopentan-1-amine
CID 102605830
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-cyclobutyloxy-N-propylcyclopentan-1-amine
CID 79632240
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 66351376
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
3-(2-ethoxyethoxy)-N-propylcyclobutan-1-amine
CID 66359394
3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
CID 64744544
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
3-butoxy-N-propylcyclopentan-1-amine
CID 79644204
N-(2-pentoxyethyl)oxan-4-amine
CID 63099879

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine (CID 66349797) is 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine?
The InChIKey is UBYGPSRKCYJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-5-13-10-8-12(9-10)15-11-3-6-14-7-4-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine?
3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66349797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).