2-amino-3-(methylamino)butan-1-ol

C5H14N2O — CID 21416499

IUPAC2-amino-3-(methylamino)butan-1-ol
SMILESCNC(C)C(N)CO
InChIInChI=1S/C5H14N2O/c1-4(7-2)5(6)3-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyPZFPMUQXALRZTC-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.09
Rot. Bonds3

About 2-amino-3-(methylamino)butan-1-ol

2-amino-3-(methylamino)butan-1-ol (PubChem CID 21416499) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-amino-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-(methylamino)butan-1-ol
PubChem CID21416499
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-amino-3-(methylamino)butan-1-ol
SMILESCNC(C)C(N)CO
InChIInChI=1S/C5H14N2O/c1-4(7-2)5(6)3-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyPZFPMUQXALRZTC-UHFFFAOYSA-N
XLogP-1.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(methylamino)butan-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 2-amino-3-(methylamino)butan-1-ol?
The IUPAC name of 2-amino-3-(methylamino)butan-1-ol (CID 21416499) is 2-amino-3-(methylamino)butan-1-ol.
What is the SMILES notation for 2-amino-3-(methylamino)butan-1-ol?
The canonical SMILES for 2-amino-3-(methylamino)butan-1-ol is CNC(C)C(N)CO.
What is the InChIKey of 2-amino-3-(methylamino)butan-1-ol?
The InChIKey is PZFPMUQXALRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-4(7-2)5(6)3-8/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-amino-3-(methylamino)butan-1-ol?
2-amino-3-(methylamino)butan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)butan-1-ol is sourced from PubChem (CID 21416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).