2-methoxy-N-propan-2-ylpropan-1-amine

C7H17NO — CID 54594872

IUPAC2-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOC(C)CNC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)8-5-7(3)9-4/h6-8H,5H2,1-4H3
InChIKeyQGJWIEAVYWXIQC-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.02
Rot. Bonds4

About 2-methoxy-N-propan-2-ylpropan-1-amine

2-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 54594872) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID54594872
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOC(C)CNC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)8-5-7(3)9-4/h6-8H,5H2,1-4H3
InChIKeyQGJWIEAVYWXIQC-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N-propan-2-ylpropan-1-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 2-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methoxy-N-propan-2-ylpropan-1-amine (CID 54594872) is 2-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methoxy-N-propan-2-ylpropan-1-amine is COC(C)CNC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is QGJWIEAVYWXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)8-5-7(3)9-4/h6-8H,5H2,1-4H3.
What are the key properties of 2-methoxy-N-propan-2-ylpropan-1-amine?
2-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 54594872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).