(2S)-2,6-diaminohexan-1-ol

C6H16N2O — CID 11607920

IUPAC(2S)-2,6-diaminohexan-1-ol
SMILESNCCCC[C@H](N)CO
InChIInChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
InChIKeyLTGPFZWZZNUIIK-LURJTMIESA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds5

About (2S)-2,6-diaminohexan-1-ol

(2S)-2,6-diaminohexan-1-ol (PubChem CID 11607920) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (2S)-2,6-diaminohexan-1-ol.

Molecular Properties

Compound Name(2S)-2,6-diaminohexan-1-ol
PubChem CID11607920
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(2S)-2,6-diaminohexan-1-ol
SMILESNCCCC[C@H](N)CO
InChIInChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
InChIKeyLTGPFZWZZNUIIK-LURJTMIESA-N
XLogP-0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexan-1-ol?
The IUPAC name of (2S)-2,6-diaminohexan-1-ol (CID 11607920) is (2S)-2,6-diaminohexan-1-ol.
What is the SMILES notation for (2S)-2,6-diaminohexan-1-ol?
The canonical SMILES for (2S)-2,6-diaminohexan-1-ol is NCCCC[C@H](N)CO.
What is the InChIKey of (2S)-2,6-diaminohexan-1-ol?
The InChIKey is LTGPFZWZZNUIIK-LURJTMIESA-N. The full InChI is InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1.
What are the key properties of (2S)-2,6-diaminohexan-1-ol?
(2S)-2,6-diaminohexan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexan-1-ol is sourced from PubChem (CID 11607920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).