4-amino-3,4-dimethylpentan-2-ol

C7H17NO — CID 54257574

IUPAC4-amino-3,4-dimethylpentan-2-ol
SMILESCC(O)C(C)C(C)(C)N
InChIInChI=1S/C7H17NO/c1-5(6(2)9)7(3,4)8/h5-6,9H,8H2,1-4H3
InChIKeyRBDZCPZWTXKCPM-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds2

About 4-amino-3,4-dimethylpentan-2-ol

4-amino-3,4-dimethylpentan-2-ol (PubChem CID 54257574) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-amino-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-amino-3,4-dimethylpentan-2-ol
PubChem CID54257574
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-amino-3,4-dimethylpentan-2-ol
SMILESCC(O)C(C)C(C)(C)N
InChIInChI=1S/C7H17NO/c1-5(6(2)9)7(3,4)8/h5-6,9H,8H2,1-4H3
InChIKeyRBDZCPZWTXKCPM-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3,4-dimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dimethylpentan-2-ol?
The IUPAC name of 4-amino-3,4-dimethylpentan-2-ol (CID 54257574) is 4-amino-3,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-amino-3,4-dimethylpentan-2-ol?
The canonical SMILES for 4-amino-3,4-dimethylpentan-2-ol is CC(O)C(C)C(C)(C)N.
What is the InChIKey of 4-amino-3,4-dimethylpentan-2-ol?
The InChIKey is RBDZCPZWTXKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5(6(2)9)7(3,4)8/h5-6,9H,8H2,1-4H3.
What are the key properties of 4-amino-3,4-dimethylpentan-2-ol?
4-amino-3,4-dimethylpentan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 54257574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).