2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol

C17H36N2O — CID 62258926

IUPAC2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
SMILESCC(C)(CNC(C)(C)C)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)18-13-17(4,5)14-19(11-12-20)15-9-7-6-8-10-15/h15,18,20H,6-14H2,1-5H3
InChIKeyJAZKIUNBIUJTGR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds7

About 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol

2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol (PubChem CID 62258926) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
PubChem CID62258926
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
SMILESCC(C)(CNC(C)(C)C)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)18-13-17(4,5)14-19(11-12-20)15-9-7-6-8-10-15/h15,18,20H,6-14H2,1-5H3
InChIKeyJAZKIUNBIUJTGR-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclobutylamino]propan-1-ol
CID 102870871
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
CID 64997494
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260416
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol
CID 62257238
3-[cyclobutyl-[2,2-dimethyl-3-(2-methylpropylamino)propyl]amino]propan-1-ol
CID 102870752

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol (CID 62258926) is 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol is CC(C)(CNC(C)(C)C)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol?
The InChIKey is JAZKIUNBIUJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,3)18-13-17(4,5)14-19(11-12-20)15-9-7-6-8-10-15/h15,18,20H,6-14H2,1-5H3.
What are the key properties of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol?
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol is sourced from PubChem (CID 62258926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).