trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol

C11H21NO2 — CID 102731241

IUPACtrans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
SMILESOC(CN[C@@H]1CCCC[C@H]1O)C1CC1
InChIInChI=1S/C11H21NO2/c13-10-4-2-1-3-9(10)12-7-11(14)8-5-6-8/h8-14H,1-7H2/t9-,10-,11?/m1/s1
InChIKeyUJTBTJRRDHHONQ-DIOIDXFWSA-N
MW199.29 g/mol
LogP0.65
Rot. Bonds4

About trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol (PubChem CID 102731241) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
PubChem CID102731241
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
SMILESOC(CN[C@@H]1CCCC[C@H]1O)C1CC1
InChIInChI=1S/C11H21NO2/c13-10-4-2-1-3-9(10)12-7-11(14)8-5-6-8/h8-14H,1-7H2/t9-,10-,11?/m1/s1
InChIKeyUJTBTJRRDHHONQ-DIOIDXFWSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 63298849
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62358751
1-cyclopropyl-2-[(2-piperidin-2-ylcyclohexyl)amino]ethanol
CID 79552815
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
CID 103249845
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol (CID 102731241) is trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol is OC(CN[C@@H]1CCCC[C@H]1O)C1CC1.
What is the InChIKey of trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol?
The InChIKey is UJTBTJRRDHHONQ-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H21NO2/c13-10-4-2-1-3-9(10)12-7-11(14)8-5-6-8/h8-14H,1-7H2/t9-,10-,11?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.65, 4 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-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).