(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol

C7H15NO — CID 90137025

IUPAC(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3/t5-,6+,7-/m1/s1
InChIKeySODIDXLDSFHMMZ-DSYKOEDSSA-N
MW129.20 g/mol
LogP0.49
Rot. Bonds

About (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol

(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol (PubChem CID 90137025) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
PubChem CID90137025
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3/t5-,6+,7-/m1/s1
InChIKeySODIDXLDSFHMMZ-DSYKOEDSSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
2-methylcyclododecan-1-ol
CID 13130078
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
(1S)-2-methylcyclopentan-1-amine
CID 154545726

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol?
The IUPAC name of (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol (CID 90137025) is (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol is C[C@@H]1CCC[C@H](O)[C@@H]1N.
What is the InChIKey of (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol?
The InChIKey is SODIDXLDSFHMMZ-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-2-4-6(9)7(5)8/h5-7,9H,2-4,8H2,1H3/t5-,6+,7-/m1/s1.
What are the key properties of (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol?
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol is sourced from PubChem (CID 90137025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).