3-amino-1-(methylamino)propan-1-ol

C4H12N2O — CID 54301094

IUPAC3-amino-1-(methylamino)propan-1-ol
SMILESCNC(O)CCN
InChIInChI=1S/C4H12N2O/c1-6-4(7)2-3-5/h4,6-7H,2-3,5H2,1H3
InChIKeySEFVSSXPOXWHOS-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.13
Rot. Bonds3

About 3-amino-1-(methylamino)propan-1-ol

3-amino-1-(methylamino)propan-1-ol (PubChem CID 54301094) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 3-amino-1-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(methylamino)propan-1-ol
PubChem CID54301094
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name3-amino-1-(methylamino)propan-1-ol
SMILESCNC(O)CCN
InChIInChI=1S/C4H12N2O/c1-6-4(7)2-3-5/h4,6-7H,2-3,5H2,1H3
InChIKeySEFVSSXPOXWHOS-UHFFFAOYSA-N
XLogP-1.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-(methylamino)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-amino-1-(methylamino)propan-1-ol?
The IUPAC name of 3-amino-1-(methylamino)propan-1-ol (CID 54301094) is 3-amino-1-(methylamino)propan-1-ol.
What is the SMILES notation for 3-amino-1-(methylamino)propan-1-ol?
The canonical SMILES for 3-amino-1-(methylamino)propan-1-ol is CNC(O)CCN.
What is the InChIKey of 3-amino-1-(methylamino)propan-1-ol?
The InChIKey is SEFVSSXPOXWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-6-4(7)2-3-5/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3-amino-1-(methylamino)propan-1-ol?
3-amino-1-(methylamino)propan-1-ol has a molecular weight of 104.15 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(methylamino)propan-1-ol is sourced from PubChem (CID 54301094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).