2,6-diaminohexane-2,4-diol

C6H16N2O2 — CID 90758959

IUPAC2,6-diaminohexane-2,4-diol
SMILESCC(N)(O)CC(O)CCN
InChIInChI=1S/C6H16N2O2/c1-6(8,10)4-5(9)2-3-7/h5,9-10H,2-4,7-8H2,1H3
InChIKeyMXCCPEKAIFGOQM-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.25
Rot. Bonds4

About 2,6-diaminohexane-2,4-diol

2,6-diaminohexane-2,4-diol (PubChem CID 90758959) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,6-diaminohexane-2,4-diol.

Molecular Properties

Compound Name2,6-diaminohexane-2,4-diol
PubChem CID90758959
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name2,6-diaminohexane-2,4-diol
SMILESCC(N)(O)CC(O)CCN
InChIInChI=1S/C6H16N2O2/c1-6(8,10)4-5(9)2-3-7/h5,9-10H,2-4,7-8H2,1H3
InChIKeyMXCCPEKAIFGOQM-UHFFFAOYSA-N
XLogP-1.25
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-2,4-dihydroxyhexanoic acid
CID 171058574
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
1,7-diamino-6-methylheptan-3-ol
CID 88669461
2-amino-4,5-dimethylhex-5-en-2-ol
CID 138459960
6-amino-4-ethyl-2-methylhexan-2-ol
CID 146359266
5-amino-3-(aminomethyl)-2-methylpentan-2-ol
CID 173461843
4-aminobutane-1,2-diol;ethane;terbium
CID 153386909
(2S)-4-amino-1-sulfanylbutan-2-ol
CID 146535668
5-amino-2,3-dihydroxy-2-methylpentanoic acid
CID 175482621
methyl 5-amino-3-hydroxypentanoate
CID 71369778
4-amino-1-(3-tert-butylphenyl)butan-2-ol
CID 66582205
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexane-2,4-diol?
The IUPAC name of 2,6-diaminohexane-2,4-diol (CID 90758959) is 2,6-diaminohexane-2,4-diol.
What is the SMILES notation for 2,6-diaminohexane-2,4-diol?
The canonical SMILES for 2,6-diaminohexane-2,4-diol is CC(N)(O)CC(O)CCN.
What is the InChIKey of 2,6-diaminohexane-2,4-diol?
The InChIKey is MXCCPEKAIFGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-6(8,10)4-5(9)2-3-7/h5,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2,6-diaminohexane-2,4-diol?
2,6-diaminohexane-2,4-diol has a molecular weight of 148.21 g/mol, XLogP of -1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexane-2,4-diol is sourced from PubChem (CID 90758959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).