2,4-diamino-4-methylpentan-2-ol

C6H16N2O — CID 146969207

IUPAC2,4-diamino-4-methylpentan-2-ol
SMILESCC(C)(N)CC(C)(N)O
InChIInChI=1S/C6H16N2O/c1-5(2,7)4-6(3,8)9/h9H,4,7-8H2,1-3H3
InChIKeyAMCBZOUJLFDSMW-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.22
Rot. Bonds2

About 2,4-diamino-4-methylpentan-2-ol

2,4-diamino-4-methylpentan-2-ol (PubChem CID 146969207) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,4-diamino-4-methylpentan-2-ol.

Molecular Properties

Compound Name2,4-diamino-4-methylpentan-2-ol
PubChem CID146969207
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2,4-diamino-4-methylpentan-2-ol
SMILESCC(C)(N)CC(C)(N)O
InChIInChI=1S/C6H16N2O/c1-5(2,7)4-6(3,8)9/h9H,4,7-8H2,1-3H3
InChIKeyAMCBZOUJLFDSMW-UHFFFAOYSA-N
XLogP-0.22
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.22
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 2,4-diamino-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobutan-2-ol;propane
CID 174346487
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228
alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
2-amino-5-methylhexane-2,5-diol
CID 175528069
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
2-amino-1-(methylamino)propan-2-ol
CID 126635674
2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
1-amino-1-bromoethanol
CID 158110209

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-4-methylpentan-2-ol?
The IUPAC name of 2,4-diamino-4-methylpentan-2-ol (CID 146969207) is 2,4-diamino-4-methylpentan-2-ol.
What is the SMILES notation for 2,4-diamino-4-methylpentan-2-ol?
The canonical SMILES for 2,4-diamino-4-methylpentan-2-ol is CC(C)(N)CC(C)(N)O.
What is the InChIKey of 2,4-diamino-4-methylpentan-2-ol?
The InChIKey is AMCBZOUJLFDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5(2,7)4-6(3,8)9/h9H,4,7-8H2,1-3H3.
What are the key properties of 2,4-diamino-4-methylpentan-2-ol?
2,4-diamino-4-methylpentan-2-ol has a molecular weight of 132.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-4-methylpentan-2-ol is sourced from PubChem (CID 146969207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).