trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol

C13H25NO — CID 102733566

IUPACtrans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
SMILESCC1CC(C)CC(N[C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C13H25NO/c1-9-6-10(2)8-11(7-9)14-12-4-3-5-13(12)15/h9-15H,3-8H2,1-2H3/t9?,10?,11?,12-,13-/m1/s1
InChIKeyKYLNHGSOEXNYDI-FRRVBIHZSA-N
MW211.35 g/mol
LogP2.31
Rot. Bonds2

About trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol (PubChem CID 102733566) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
PubChem CID102733566
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
SMILESCC1CC(C)CC(N[C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C13H25NO/c1-9-6-10(2)8-11(7-9)14-12-4-3-5-13(12)15/h9-15H,3-8H2,1-2H3/t9?,10?,11?,12-,13-/m1/s1
InChIKeyKYLNHGSOEXNYDI-FRRVBIHZSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
cis-(1S,2R)-2-fluoro-N-(3-methylcyclobutyl)cyclopentan-1-amine
CID 130921555
[2-[(3-methylcyclobutyl)amino]cyclopentyl]methanol
CID 104859835
2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
CID 103562307
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol (CID 102733566) is trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol is CC1CC(C)CC(N[C@@H]2CCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol?
The InChIKey is KYLNHGSOEXNYDI-FRRVBIHZSA-N. The full InChI is InChI=1S/C13H25NO/c1-9-6-10(2)8-11(7-9)14-12-4-3-5-13(12)15/h9-15H,3-8H2,1-2H3/t9?,10?,11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.31, 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-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102733566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).