2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol

C13H28N2O — CID 79853440

IUPAC2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
SMILESCNC1C(CN(C)CCO)CCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-13(2)7-5-6-11(12(13)14-3)10-15(4)8-9-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyKKOWFIQDSXPJEY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds5

About 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol

2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol (PubChem CID 79853440) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
PubChem CID79853440
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
SMILESCNC1C(CN(C)CCO)CCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-13(2)7-5-6-11(12(13)14-3)10-15(4)8-9-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyKKOWFIQDSXPJEY-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol with MolForge

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Related Compounds

5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583
2-[cyclopropyl-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]amino]ethanol
CID 79855562
N,2,2-trimethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853096
N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79842638
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79856035
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 79842868
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol (CID 79853440) is 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol is CNC1C(CN(C)CCO)CCCC1(C)C.
What is the InChIKey of 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol?
The InChIKey is KKOWFIQDSXPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2)7-5-6-11(12(13)14-3)10-15(4)8-9-16/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol?
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol is sourced from PubChem (CID 79853440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).