3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine

C13H27NO2 — CID 103027191

IUPAC3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyZHZWYHQMRHIKCK-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine

3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine (PubChem CID 103027191) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
PubChem CID103027191
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC1
InChIInChI=1S/C13H27NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyZHZWYHQMRHIKCK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine (CID 103027191) is 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)C1CCOC1.
What is the InChIKey of 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The InChIKey is ZHZWYHQMRHIKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-14-12(9-13(2,3)15-4)11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine?
3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(oxolan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103027191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).