1,5-diamino-2-methylpentan-2-ol

C6H16N2O — CID 87076393

IUPAC1,5-diamino-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN
InChIInChI=1S/C6H16N2O/c1-6(9,5-8)3-2-4-7/h9H,2-5,7-8H2,1H3
InChIKeyRLOOEUYWKUUAKR-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds4

About 1,5-diamino-2-methylpentan-2-ol

1,5-diamino-2-methylpentan-2-ol (PubChem CID 87076393) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,5-diamino-2-methylpentan-2-ol.

Molecular Properties

Compound Name1,5-diamino-2-methylpentan-2-ol
PubChem CID87076393
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1,5-diamino-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCN
InChIInChI=1S/C6H16N2O/c1-6(9,5-8)3-2-4-7/h9H,2-5,7-8H2,1H3
InChIKeyRLOOEUYWKUUAKR-UHFFFAOYSA-N
XLogP-0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,5-diamino-2-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

Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-2-methylpentan-2-ol?
The IUPAC name of 1,5-diamino-2-methylpentan-2-ol (CID 87076393) is 1,5-diamino-2-methylpentan-2-ol.
What is the SMILES notation for 1,5-diamino-2-methylpentan-2-ol?
The canonical SMILES for 1,5-diamino-2-methylpentan-2-ol is CC(O)(CN)CCCN.
What is the InChIKey of 1,5-diamino-2-methylpentan-2-ol?
The InChIKey is RLOOEUYWKUUAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(9,5-8)3-2-4-7/h9H,2-5,7-8H2,1H3.
What are the key properties of 1,5-diamino-2-methylpentan-2-ol?
1,5-diamino-2-methylpentan-2-ol has a molecular weight of 132.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2-methylpentan-2-ol is sourced from PubChem (CID 87076393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).