2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol

C13H27NO — CID 71071709

IUPAC2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol
SMILESCN(CCO)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27NO/c1-12(2)7-6-8-13(3,4)11(12)14(5)9-10-15/h11,15H,6-10H2,1-5H3
InChIKeyXSSUWHCTRKWRGP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds3

About 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol

2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol (PubChem CID 71071709) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol
PubChem CID71071709
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol
SMILESCN(CCO)C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27NO/c1-12(2)7-6-8-13(3,4)11(12)14(5)9-10-15/h11,15H,6-10H2,1-5H3
InChIKeyXSSUWHCTRKWRGP-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol?
The IUPAC name of 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol (CID 71071709) is 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol?
The canonical SMILES for 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol is CN(CCO)C1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol?
The InChIKey is XSSUWHCTRKWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)7-6-8-13(3,4)11(12)14(5)9-10-15/h11,15H,6-10H2,1-5H3.
What are the key properties of 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol?
2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 71071709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).