trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol

C12H25NO3 — CID 106255147

IUPACtrans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
SMILESCOCCC(C)(O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO3/c1-12(15,7-8-16-2)9-13-10-5-3-4-6-11(10)14/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyUZEWMUJJWJKEJK-XFKKCKKNSA-N
MW231.34 g/mol
LogP0.67
Rot. Bonds6

About trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol (PubChem CID 106255147) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
PubChem CID106255147
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametrans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
SMILESCOCCC(C)(O)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO3/c1-12(15,7-8-16-2)9-13-10-5-3-4-6-11(10)14/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyUZEWMUJJWJKEJK-XFKKCKKNSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
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-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol (CID 106255147) is trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol is COCCC(C)(O)CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol?
The InChIKey is UZEWMUJJWJKEJK-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(15,7-8-16-2)9-13-10-5-3-4-6-11(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-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106255147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).