4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine

C13H27NO2 — CID 103032062

IUPAC4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)8-7-12(14-3)11-6-5-9-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyBVPVALXMPZJTPE-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine

4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine (PubChem CID 103032062) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine
PubChem CID103032062
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)OC)C1CCCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)8-7-12(14-3)11-6-5-9-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyBVPVALXMPZJTPE-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine (CID 103032062) is 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine is CNC(CCC(C)(C)OC)C1CCCOC1.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The InChIKey is BVPVALXMPZJTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,15-4)8-7-12(14-3)11-6-5-9-16-10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine?
4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-(oxan-3-yl)pentan-1-amine is sourced from PubChem (CID 103032062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).