(5-amino-2,3,4-trihydroxycyclohexyl)azanium

C6H15N2O3+ — CID 5193005

IUPAC(5-amino-2,3,4-trihydroxycyclohexyl)azanium
SMILESNC1CC([NH3+])C(O)C(O)C1O
InChIInChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1
InChIKeyDTFAJAKTSMLKAT-UHFFFAOYSA-O
MW163.20 g/mol
LogP-3.59
Rot. Bonds

About (5-amino-2,3,4-trihydroxycyclohexyl)azanium

(5-amino-2,3,4-trihydroxycyclohexyl)azanium (PubChem CID 5193005) has the molecular formula C6H15N2O3+ and a molecular weight of 163.20 g/mol. Its IUPAC name is (5-amino-2,3,4-trihydroxycyclohexyl)azanium.

Molecular Properties

Compound Name(5-amino-2,3,4-trihydroxycyclohexyl)azanium
PubChem CID5193005
Molecular FormulaC6H15N2O3+
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name(5-amino-2,3,4-trihydroxycyclohexyl)azanium
SMILESNC1CC([NH3+])C(O)C(O)C1O
InChIInChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1
InChIKeyDTFAJAKTSMLKAT-UHFFFAOYSA-O
XLogP-3.59
TPSA114.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-3.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (5-amino-2,3,4-trihydroxycyclohexyl)azanium 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

(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099
(1S,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 98290063
[(1R,2R)-2-aminocyclopropyl]azanium
CID 86306440
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
CID 101174651
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
CID 73424715
(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol
CID 142537536
(1S,2R,3R,4S,6R)-4,6-diamino-3-[8-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoctoxy]cyclohexane-1,2-diol
CID 177466468

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3,4-trihydroxycyclohexyl)azanium?
The IUPAC name of (5-amino-2,3,4-trihydroxycyclohexyl)azanium (CID 5193005) is (5-amino-2,3,4-trihydroxycyclohexyl)azanium.
What is the SMILES notation for (5-amino-2,3,4-trihydroxycyclohexyl)azanium?
The canonical SMILES for (5-amino-2,3,4-trihydroxycyclohexyl)azanium is NC1CC([NH3+])C(O)C(O)C1O.
What is the InChIKey of (5-amino-2,3,4-trihydroxycyclohexyl)azanium?
The InChIKey is DTFAJAKTSMLKAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1.
What are the key properties of (5-amino-2,3,4-trihydroxycyclohexyl)azanium?
(5-amino-2,3,4-trihydroxycyclohexyl)azanium has a molecular weight of 163.20 g/mol, XLogP of -3.59, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3,4-trihydroxycyclohexyl)azanium is sourced from PubChem (CID 5193005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).