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

C8H17NO — CID 146552726

IUPAC3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)CCCOC
InChIInChI=1S/C8H17NO/c1-8(2)9(3)6-5-7-10-4/h1,5-7H2,2-4H3
InChIKeyYYQFAMQUPQTGJP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.49
Rot. Bonds5

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

3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 146552726) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID146552726
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)CCCOC
InChIInChI=1S/C8H17NO/c1-8(2)9(3)6-5-7-10-4/h1,5-7H2,2-4H3
InChIKeyYYQFAMQUPQTGJP-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-methyl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine (CID 146552726) is 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)N(C)CCCOC.
What is the InChIKey of 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is YYQFAMQUPQTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)9(3)6-5-7-10-4/h1,5-7H2,2-4H3.
What are the key properties of 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine?
3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 146552726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).