2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol

C12H25NO2 — CID 65111156

IUPAC2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
SMILESCCC(O)(CC)CNC1CCCCC1O
InChIInChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-10-7-5-6-8-11(10)14/h10-11,13-15H,3-9H2,1-2H3
InChIKeyZIOJPDHYEONVSZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.43
Rot. Bonds5

About 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol

2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol (PubChem CID 65111156) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
PubChem CID65111156
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
SMILESCCC(O)(CC)CNC1CCCCC1O
InChIInChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-10-7-5-6-8-11(10)14/h10-11,13-15H,3-9H2,1-2H3
InChIKeyZIOJPDHYEONVSZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
CID 115714750
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
CID 102731680
2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol
CID 114493206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol (CID 65111156) is 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol is CCC(O)(CC)CNC1CCCCC1O.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol?
The InChIKey is ZIOJPDHYEONVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-10-7-5-6-8-11(10)14/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol?
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65111156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).