1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine

C12H25NO2 — CID 115896555

IUPAC1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
SMILESCCC(COC)NC(CC)C1CCCO1
InChIInChI=1S/C12H25NO2/c1-4-10(9-14-3)13-11(5-2)12-7-6-8-15-12/h10-13H,4-9H2,1-3H3
InChIKeyIDPLYYVXHRIQIZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine

1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine (PubChem CID 115896555) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
PubChem CID115896555
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
SMILESCCC(COC)NC(CC)C1CCCO1
InChIInChI=1S/C12H25NO2/c1-4-10(9-14-3)13-11(5-2)12-7-6-8-15-12/h10-13H,4-9H2,1-3H3
InChIKeyIDPLYYVXHRIQIZ-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine (CID 115896555) is 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine is CCC(COC)NC(CC)C1CCCO1.
What is the InChIKey of 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The InChIKey is IDPLYYVXHRIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-10(9-14-3)13-11(5-2)12-7-6-8-15-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 115896555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).