(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol

C11H23NO — CID 96784141

IUPAC(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
SMILESC[C@@H](O)CCN[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h9-13H,3-8H2,1-2H3/t9-,10+,11-/m0/s1
InChIKeyIKNQAZTWGKXIIA-AXFHLTTASA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol

(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol (PubChem CID 96784141) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
PubChem CID96784141
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
SMILESC[C@@H](O)CCN[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h9-13H,3-8H2,1-2H3/t9-,10+,11-/m0/s1
InChIKeyIKNQAZTWGKXIIA-AXFHLTTASA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol with MolForge

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Related Compounds

4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
4-[(2,6-dimethylcyclohexyl)amino]butan-2-ol
CID 64912158
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
CID 175601005
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
2-methyl-5-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 103859481

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol (CID 96784141) is (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol is C[C@@H](O)CCN[C@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol?
The InChIKey is IKNQAZTWGKXIIA-AXFHLTTASA-N. The full InChI is InChI=1S/C11H23NO/c1-9-5-3-4-6-11(9)12-8-7-10(2)13/h9-13H,3-8H2,1-2H3/t9-,10+,11-/m0/s1.
What are the key properties of (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol?
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 96784141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).