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

C13H26N2O — CID 102732104

IUPACtrans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)CC1CCCN1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H26N2O/c1-14(2)10-11-6-5-9-15(11)12-7-3-4-8-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m1/s1
InChIKeyBTGXWXJWNVEGDJ-VFRRUGBOSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds3

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

trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 102732104) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID102732104
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nametrans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)CC1CCCN1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H26N2O/c1-14(2)10-11-6-5-9-15(11)12-7-3-4-8-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m1/s1
InChIKeyBTGXWXJWNVEGDJ-VFRRUGBOSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
CID 102734826
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
2-[2-(2-hydroxypropyl)piperidin-1-yl]cyclopentan-1-ol
CID 114338292
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372381
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)cycloheptan-1-ol
CID 114087668
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclopentan-1-one
CID 79642697
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419012
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,4-dimethylcyclohexan-1-amine
CID 55127469

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol (CID 102732104) is trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol is CN(C)CC1CCCN1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is BTGXWXJWNVEGDJ-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14(2)10-11-6-5-9-15(11)12-7-3-4-8-13(12)16/h11-13,16H,3-10H2,1-2H3/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102732104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).