(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol

C8H18N2O3 — CID 129322048

IUPAC(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol
SMILESCN[C@@H]1[C@H](O)[C@@H](O)[C@H](N)C[C@H]1OC
InChIInChI=1S/C8H18N2O3/c1-10-6-5(13-2)3-4(9)7(11)8(6)12/h4-8,10-12H,3,9H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeyKWRMEVJZATUAAC-HEIBUPTGSA-N
MW190.24 g/mol
LogP-1.96
Rot. Bonds2

About (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol

(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol (PubChem CID 129322048) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol
PubChem CID129322048
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol
SMILESCN[C@@H]1[C@H](O)[C@@H](O)[C@H](N)C[C@H]1OC
InChIInChI=1S/C8H18N2O3/c1-10-6-5(13-2)3-4(9)7(11)8(6)12/h4-8,10-12H,3,9H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeyKWRMEVJZATUAAC-HEIBUPTGSA-N
XLogP-1.96
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 3056186
(1R,2R,3R,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 13019101
(1S,2S,3R,5S,6S)-3-amino-2-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 162879962
[(2R,3S,6R)-6-[(1S)-1-aminoethyl]-2-[(1S,2S,3R,4R,6R)-6-amino-2-hydroxy-4-methoxy-3-(methylamino)cyclohexyl]oxyoxan-3-yl]urea
CID 162961987
methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
CID 59065836
(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
N-[(2S,3R,6S)-2-[(1R,2R,3R,4R,6S)-6-amino-2-hydroxy-4-methoxy-3-(methylamino)cyclohexyl]oxy-6-(methylaminomethyl)oxan-3-yl]-2-formamidoacetamide
CID 162851895
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 141351699
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol?
The IUPAC name of (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol (CID 129322048) is (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol is CN[C@@H]1[C@H](O)[C@@H](O)[C@H](N)C[C@H]1OC.
What is the InChIKey of (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol?
The InChIKey is KWRMEVJZATUAAC-HEIBUPTGSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-10-6-5(13-2)3-4(9)7(11)8(6)12/h4-8,10-12H,3,9H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1.
What are the key properties of (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol?
(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of -1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 129322048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).