trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol

C12H25NO2 — CID 106293057

IUPACtrans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
SMILESCCCC(C)(O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-3-8-12(2,15)9-13-10-6-4-5-7-11(10)14/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyDLBPXCUPWWGFEW-XFKKCKKNSA-N
MW215.34 g/mol
LogP1.43
Rot. Bonds5

About trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol (PubChem CID 106293057) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
PubChem CID106293057
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametrans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
SMILESCCCC(C)(O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-3-8-12(2,15)9-13-10-6-4-5-7-11(10)14/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyDLBPXCUPWWGFEW-XFKKCKKNSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106246971
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106247252
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
CID 102731680
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol (CID 106293057) is trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol is CCCC(C)(O)CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol?
The InChIKey is DLBPXCUPWWGFEW-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-8-12(2,15)9-13-10-6-4-5-7-11(10)14/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106293057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).