trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol

C12H24N2O — CID 102732127

IUPACtrans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)C1CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C12H24N2O/c1-13(2)10-7-8-14(9-10)11-5-3-4-6-12(11)15/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1
InChIKeyFLNPZSGXDORNEV-PQDIPPBSSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds2

About trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 102732127) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID102732127
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nametrans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)C1CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C12H24N2O/c1-13(2)10-7-8-14(9-10)11-5-3-4-6-12(11)15/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1
InChIKeyFLNPZSGXDORNEV-PQDIPPBSSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
CID 63165145
trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
CID 131701466
trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
CID 102732321
tert-butyl-[(3R)-1-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-3-yl]carbamic acid
CID 66787733
1-(2-aminocyclopentyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163808
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 63164876
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
6-[3-(dimethylamino)piperidin-1-yl]-2,2-dimethylcyclohexan-1-ol
CID 79847899

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol (CID 102732127) is trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol is CN(C)C1CCN([C@@H]2CCCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is FLNPZSGXDORNEV-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)10-7-8-14(9-10)11-5-3-4-6-12(11)15/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102732127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).