1-methoxypropan-1-amine

C4H11NO — CID 14619209

IUPAC1-methoxypropan-1-amine
SMILESCCC(N)OC
InChIInChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3
InChIKeyKNYKHCLCBHSFCK-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.33
Rot. Bonds2

About 1-methoxypropan-1-amine

1-methoxypropan-1-amine (PubChem CID 14619209) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-methoxypropan-1-amine.

Molecular Properties

Compound Name1-methoxypropan-1-amine
PubChem CID14619209
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name1-methoxypropan-1-amine
SMILESCCC(N)OC
InChIInChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3
InChIKeyKNYKHCLCBHSFCK-UHFFFAOYSA-N
XLogP0.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-1-amine?
The IUPAC name of 1-methoxypropan-1-amine (CID 14619209) is 1-methoxypropan-1-amine.
What is the SMILES notation for 1-methoxypropan-1-amine?
The canonical SMILES for 1-methoxypropan-1-amine is CCC(N)OC.
What is the InChIKey of 1-methoxypropan-1-amine?
The InChIKey is KNYKHCLCBHSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3.
What are the key properties of 1-methoxypropan-1-amine?
1-methoxypropan-1-amine has a molecular weight of 89.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-1-amine is sourced from PubChem (CID 14619209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).