3-methoxy-N-prop-1-en-2-ylpropan-1-amine

C7H15NO — CID 90249176

IUPAC3-methoxy-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCCCOC
InChIInChI=1S/C7H15NO/c1-7(2)8-5-4-6-9-3/h8H,1,4-6H2,2-3H3
InChIKeyVTRRBUCOHMZDOD-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.15
Rot. Bonds5

About 3-methoxy-N-prop-1-en-2-ylpropan-1-amine

3-methoxy-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 90249176) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-methoxy-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-prop-1-en-2-ylpropan-1-amine
PubChem CID90249176
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-methoxy-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCCCOC
InChIInChI=1S/C7H15NO/c1-7(2)8-5-4-6-9-3/h8H,1,4-6H2,2-3H3
InChIKeyVTRRBUCOHMZDOD-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.15
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-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-prop-1-en-2-ylpropan-1-amine (CID 90249176) is 3-methoxy-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-prop-1-en-2-ylpropan-1-amine is C=C(C)NCCCOC.
What is the InChIKey of 3-methoxy-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is VTRRBUCOHMZDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)8-5-4-6-9-3/h8H,1,4-6H2,2-3H3.
What are the key properties of 3-methoxy-N-prop-1-en-2-ylpropan-1-amine?
3-methoxy-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 90249176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).