2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol

C13H27NO2 — CID 106147285

IUPAC2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
SMILESCC(C)(CCCO)CNC1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-13(2,8-5-9-15)10-14-11-6-3-4-7-12(11)16/h11-12,14-16H,3-10H2,1-2H3
InChIKeyJTNNERYLJMTSMX-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds6

About 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol

2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol (PubChem CID 106147285) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
PubChem CID106147285
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
SMILESCC(C)(CCCO)CNC1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-13(2,8-5-9-15)10-14-11-6-3-4-7-12(11)16/h11-12,14-16H,3-10H2,1-2H3
InChIKeyJTNNERYLJMTSMX-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 113368941
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
CID 102731680
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol (CID 106147285) is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol is CC(C)(CCCO)CNC1CCCCC1O.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol?
The InChIKey is JTNNERYLJMTSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,8-5-9-15)10-14-11-6-3-4-7-12(11)16/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol?
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106147285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).