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

C8H17NO — CID 126747439

IUPAC3-methoxy-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C)C(C)OC
InChIInChI=1S/C8H17NO/c1-6(2)9-7(3)8(4)10-5/h7-9H,1H2,2-5H3
InChIKeySFNCMNYSUWPLSA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds4

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

3-methoxy-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 126747439) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methoxy-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-prop-1-en-2-ylbutan-2-amine
PubChem CID126747439
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methoxy-N-prop-1-en-2-ylbutan-2-amine
SMILESC=C(C)NC(C)C(C)OC
InChIInChI=1S/C8H17NO/c1-6(2)9-7(3)8(4)10-5/h7-9H,1H2,2-5H3
InChIKeySFNCMNYSUWPLSA-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-prop-1-en-2-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-prop-1-en-2-ylbutan-2-amine?
The IUPAC name of 3-methoxy-N-prop-1-en-2-ylbutan-2-amine (CID 126747439) is 3-methoxy-N-prop-1-en-2-ylbutan-2-amine.
What is the SMILES notation for 3-methoxy-N-prop-1-en-2-ylbutan-2-amine?
The canonical SMILES for 3-methoxy-N-prop-1-en-2-ylbutan-2-amine is C=C(C)NC(C)C(C)OC.
What is the InChIKey of 3-methoxy-N-prop-1-en-2-ylbutan-2-amine?
The InChIKey is SFNCMNYSUWPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)9-7(3)8(4)10-5/h7-9H,1H2,2-5H3.
What are the key properties of 3-methoxy-N-prop-1-en-2-ylbutan-2-amine?
3-methoxy-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 4 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-ylbutan-2-amine is sourced from PubChem (CID 126747439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).