3-ethoxy-N-methylpropan-1-amine

C6H15NO — CID 19842663

IUPAC3-ethoxy-N-methylpropan-1-amine
SMILESCCOCCCNC
InChIInChI=1S/C6H15NO/c1-3-8-6-4-5-7-2/h7H,3-6H2,1-2H3
InChIKeyRSOVYHJBOYUBKJ-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.63
Rot. Bonds5

About 3-ethoxy-N-methylpropan-1-amine

3-ethoxy-N-methylpropan-1-amine (PubChem CID 19842663) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-ethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methylpropan-1-amine
PubChem CID19842663
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-ethoxy-N-methylpropan-1-amine
SMILESCCOCCCNC
InChIInChI=1S/C6H15NO/c1-3-8-6-4-5-7-2/h7H,3-6H2,1-2H3
InChIKeyRSOVYHJBOYUBKJ-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.63
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-ethoxy-N-methylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-methylpropan-1-amine (CID 19842663) is 3-ethoxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-methylpropan-1-amine is CCOCCCNC.
What is the InChIKey of 3-ethoxy-N-methylpropan-1-amine?
The InChIKey is RSOVYHJBOYUBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-8-6-4-5-7-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-N-methylpropan-1-amine?
3-ethoxy-N-methylpropan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 19842663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).