1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine

C9H19NO — CID 65048926

IUPAC1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(COC)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-9(7-11-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyNOZRNSABLBPTIN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds6

About 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine

1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine (PubChem CID 65048926) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine
PubChem CID65048926
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(COC)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-10-9(7-11-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyNOZRNSABLBPTIN-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-3-methyl-N-prop-2-enylbutan-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 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine (CID 65048926) is 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine is C=CCNC(COC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine?
The InChIKey is NOZRNSABLBPTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-10-9(7-11-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine?
1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 65048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).