3-methoxy-N-methylpropan-1-amine

C5H13NO — CID 12545984

IUPAC3-methoxy-N-methylpropan-1-amine
SMILESCNCCCOC
InChIInChI=1S/C5H13NO/c1-6-4-3-5-7-2/h6H,3-5H2,1-2H3
InChIKeyHJELPNLGHMWKQT-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.24
Rot. Bonds4

About 3-methoxy-N-methylpropan-1-amine

3-methoxy-N-methylpropan-1-amine (PubChem CID 12545984) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methylpropan-1-amine
PubChem CID12545984
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name3-methoxy-N-methylpropan-1-amine
SMILESCNCCCOC
InChIInChI=1S/C5H13NO/c1-6-4-3-5-7-2/h6H,3-5H2,1-2H3
InChIKeyHJELPNLGHMWKQT-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 3-methoxy-N-methylpropan-1-amine (CID 12545984) is 3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-methylpropan-1-amine is CNCCCOC.
What is the InChIKey of 3-methoxy-N-methylpropan-1-amine?
The InChIKey is HJELPNLGHMWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-6-4-3-5-7-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-N-methylpropan-1-amine?
3-methoxy-N-methylpropan-1-amine has a molecular weight of 103.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 12545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).