N,1-dimethoxypropan-1-amine

C₅H₁₃NO₂ — CID 165031120

About N,1-dimethoxypropan-1-amine

N,1-dimethoxypropan-1-amine (PubChem CID 165031120) has the molecular formula C₅H₁₃NO₂ and a molecular weight of 119.16 g/mol. Its IUPAC name is N,1-dimethoxypropan-1-amine.

Molecular Properties

• Compound Name: N,1-dimethoxypropan-1-amine
• PubChem CID: 165031120
• Molecular Formula: C₅H₁₃NO₂
• Molecular Weight: 119.16 g/mol
• Exact Mass: 119.09
• IUPAC Name: N,1-dimethoxypropan-1-amine
• SMILES: CCC(NOC)OC
• InChI: InChI=1S/C5H13NO2/c1-4-5(7-2)6-8-3/h5-6H,4H2,1-3H3
• InChIKey: MRAZXMXOOJXUPB-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	119.16
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,1-dimethoxypropan-1-amine?

The IUPAC name of N,1-dimethoxypropan-1-amine (CID 165031120) is N,1-dimethoxypropan-1-amine.

What is the SMILES notation for N,1-dimethoxypropan-1-amine?

The canonical SMILES for N,1-dimethoxypropan-1-amine is CCC(NOC)OC.

What is the InChIKey of N,1-dimethoxypropan-1-amine?

The InChIKey is MRAZXMXOOJXUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4-5(7-2)6-8-3/h5-6H,4H2,1-3H3.

What are the key properties of N,1-dimethoxypropan-1-amine?

N,1-dimethoxypropan-1-amine has a molecular weight of 119.16 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,1-dimethoxypropan-1-amine is sourced from PubChem (CID 165031120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165031120 — identifiers, structure, computed properties (public domain)

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