6-aminohexane-1,3-diol

C6H15NO2 — CID 19097730

IUPAC6-aminohexane-1,3-diol
SMILESNCCCC(O)CCO
InChIInChI=1S/C6H15NO2/c7-4-1-2-6(9)3-5-8/h6,8-9H,1-5,7H2
InChIKeyKMFLAJUZPNTNRG-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.53
Rot. Bonds5

About 6-aminohexane-1,3-diol

6-aminohexane-1,3-diol (PubChem CID 19097730) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 6-aminohexane-1,3-diol.

Molecular Properties

Compound Name6-aminohexane-1,3-diol
PubChem CID19097730
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name6-aminohexane-1,3-diol
SMILESNCCCC(O)CCO
InChIInChI=1S/C6H15NO2/c7-4-1-2-6(9)3-5-8/h6,8-9H,1-5,7H2
InChIKeyKMFLAJUZPNTNRG-UHFFFAOYSA-N
XLogP-0.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-aminohexane-1,3-diol 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 6-aminohexane-1,3-diol?
The IUPAC name of 6-aminohexane-1,3-diol (CID 19097730) is 6-aminohexane-1,3-diol.
What is the SMILES notation for 6-aminohexane-1,3-diol?
The canonical SMILES for 6-aminohexane-1,3-diol is NCCCC(O)CCO.
What is the InChIKey of 6-aminohexane-1,3-diol?
The InChIKey is KMFLAJUZPNTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c7-4-1-2-6(9)3-5-8/h6,8-9H,1-5,7H2.
What are the key properties of 6-aminohexane-1,3-diol?
6-aminohexane-1,3-diol has a molecular weight of 133.19 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexane-1,3-diol is sourced from PubChem (CID 19097730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).