trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol

C12H25NO2 — CID 106175555

IUPACtrans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
SMILESCCC(C)(CCO)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO2/c1-3-12(2,8-9-14)13-10-6-4-5-7-11(10)15/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m0/s1
InChIKeyJFYLPNDWPBEIAI-NDQFZYFBSA-N
MW215.34 g/mol
LogP1.43
Rot. Bonds5

About trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol (PubChem CID 106175555) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
PubChem CID106175555
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametrans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
SMILESCCC(C)(CCO)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO2/c1-3-12(2,8-9-14)13-10-6-4-5-7-11(10)15/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m0/s1
InChIKeyJFYLPNDWPBEIAI-NDQFZYFBSA-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

2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106175834
trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
CID 106328921
3-methyl-3-[(2-methyloxolan-3-yl)amino]pentan-1-ol
CID 115921094
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
CID 115908222
2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
CID 79810260
3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
CID 115908227
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
2-ethyl-N-(3-methylpentan-3-yl)cyclohexan-1-amine
CID 106328263
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
CID 115927341

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol (CID 106175555) is trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol is CCC(C)(CCO)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol?
The InChIKey is JFYLPNDWPBEIAI-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(2,8-9-14)13-10-6-4-5-7-11(10)15/h10-11,13-15H,3-9H2,1-2H3/t10-,11-,12?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)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-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106175555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).