1-methoxy-2-methylpropan-1-amine

C5H13NO — CID 11228768

IUPAC1-methoxy-2-methylpropan-1-amine
SMILESCOC(N)C(C)C
InChIInChI=1S/C5H13NO/c1-4(2)5(6)7-3/h4-5H,6H2,1-3H3
InChIKeyIOBNOWOMHKTRIL-UHFFFAOYSA-N
MW103.17 g/mol
LogP0.57
Rot. Bonds2

About 1-methoxy-2-methylpropan-1-amine

1-methoxy-2-methylpropan-1-amine (PubChem CID 11228768) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 1-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-methoxy-2-methylpropan-1-amine
PubChem CID11228768
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name1-methoxy-2-methylpropan-1-amine
SMILESCOC(N)C(C)C
InChIInChI=1S/C5H13NO/c1-4(2)5(6)7-3/h4-5H,6H2,1-3H3
InChIKeyIOBNOWOMHKTRIL-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-methoxy-2-methylpropan-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 1-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-methoxy-2-methylpropan-1-amine (CID 11228768) is 1-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-methoxy-2-methylpropan-1-amine is COC(N)C(C)C.
What is the InChIKey of 1-methoxy-2-methylpropan-1-amine?
The InChIKey is IOBNOWOMHKTRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(2)5(6)7-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-methoxy-2-methylpropan-1-amine?
1-methoxy-2-methylpropan-1-amine has a molecular weight of 103.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 11228768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).