trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol

C13H25NO — CID 102733867

IUPACtrans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
SMILESCC1(C)CCCC(N[C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C13H25NO/c1-13(2)8-4-5-10(9-13)14-11-6-3-7-12(11)15/h10-12,14-15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1
InChIKeyLQUWGIVNWYBRIU-PQDIPPBSSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds2

About trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol (PubChem CID 102733867) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
PubChem CID102733867
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
SMILESCC1(C)CCCC(N[C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C13H25NO/c1-13(2)8-4-5-10(9-13)14-11-6-3-7-12(11)15/h10-12,14-15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1
InChIKeyLQUWGIVNWYBRIU-PQDIPPBSSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
CID 65083758
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
(2E)-N-(3,3-dimethylcyclohexyl)cyclooct-2-en-1-amine
CID 114227869
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103819112

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol (CID 102733867) is trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol is CC1(C)CCCC(N[C@@H]2CCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The InChIKey is LQUWGIVNWYBRIU-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2)8-4-5-10(9-13)14-11-6-3-7-12(11)15/h10-12,14-15H,3-9H2,1-2H3/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).