3-methoxy-1-(propan-2-ylamino)propan-1-ol

C7H17NO2 — CID 138550346

IUPAC3-methoxy-1-(propan-2-ylamino)propan-1-ol
SMILESCOCCC(O)NC(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8-7(9)4-5-10-3/h6-9H,4-5H2,1-3H3
InChIKeyMTZKXJXDWUCBGV-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.34
Rot. Bonds5

About 3-methoxy-1-(propan-2-ylamino)propan-1-ol

3-methoxy-1-(propan-2-ylamino)propan-1-ol (PubChem CID 138550346) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-methoxy-1-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(propan-2-ylamino)propan-1-ol
PubChem CID138550346
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name3-methoxy-1-(propan-2-ylamino)propan-1-ol
SMILESCOCCC(O)NC(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8-7(9)4-5-10-3/h6-9H,4-5H2,1-3H3
InChIKeyMTZKXJXDWUCBGV-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-1-(propan-2-ylamino)propan-1-ol 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-1-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-methoxy-1-(propan-2-ylamino)propan-1-ol (CID 138550346) is 3-methoxy-1-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-1-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-1-(propan-2-ylamino)propan-1-ol is COCCC(O)NC(C)C.
What is the InChIKey of 3-methoxy-1-(propan-2-ylamino)propan-1-ol?
The InChIKey is MTZKXJXDWUCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)8-7(9)4-5-10-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-1-(propan-2-ylamino)propan-1-ol?
3-methoxy-1-(propan-2-ylamino)propan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 138550346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).