2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol

C8H20N2O5 — CID 87824380

IUPAC2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol
SMILESCC(N)(CO)C(O)C(O)C(N)(CO)CO
InChIInChI=1S/C8H20N2O5/c1-7(9,2-11)5(14)6(15)8(10,3-12)4-13/h5-6,11-15H,2-4,9-10H2,1H3
InChIKeyPILURTWEHGMBMI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-3.90
Rot. Bonds6

About 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol

2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol (PubChem CID 87824380) has the molecular formula C8H20N2O5 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol.

Molecular Properties

Compound Name2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol
PubChem CID87824380
Molecular FormulaC8H20N2O5
Molecular Weight224.26 g/mol
Exact Mass224.14
IUPAC Name2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol
SMILESCC(N)(CO)C(O)C(O)C(N)(CO)CO
InChIInChI=1S/C8H20N2O5/c1-7(9,2-11)5(14)6(15)8(10,3-12)4-13/h5-6,11-15H,2-4,9-10H2,1H3
InChIKeyPILURTWEHGMBMI-UHFFFAOYSA-N
XLogP-3.90
TPSA153.19 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.26
LogP ≤ 5-3.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
(2-amino-1,3-dihydroxy-2-methylpropyl) acetate
CID 162366681
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
CID 87217898
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2,6-diamino-4-(2-aminoethyl)-4-[amino(hydroxy)methyl]-2-ethyl-6-methylheptane-1,3,5-triol
CID 88727897
acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
CID 86741967
2-[(4-amino-1-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 129181186
3-amino-3-methylpentan-2-ol
CID 159077240
(2S)-2-amino-2,3,3-trimethylbutan-1-ol
CID 45072298
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
CID 88802194

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol?
The IUPAC name of 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol (CID 87824380) is 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol.
What is the SMILES notation for 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol?
The canonical SMILES for 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol is CC(N)(CO)C(O)C(O)C(N)(CO)CO.
What is the InChIKey of 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol?
The InChIKey is PILURTWEHGMBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O5/c1-7(9,2-11)5(14)6(15)8(10,3-12)4-13/h5-6,11-15H,2-4,9-10H2,1H3.
What are the key properties of 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol?
2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol has a molecular weight of 224.26 g/mol, XLogP of -3.90, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2-(hydroxymethyl)-5-methylhexane-1,3,4,6-tetrol is sourced from PubChem (CID 87824380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).