3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine

C18H36N2 — CID 115923462

IUPAC3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)C1CCCN(C)C1
InChIInChI=1S/C18H36N2/c1-14(15-8-7-9-20(6)12-15)19-16-10-17(2,3)13-18(4,5)11-16/h14-16,19H,7-13H2,1-6H3
InChIKeyJCXFYFDGADIRTA-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 115923462) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
PubChem CID115923462
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)C1CCCN(C)C1
InChIInChI=1S/C18H36N2/c1-14(15-8-7-9-20(6)12-15)19-16-10-17(2,3)13-18(4,5)11-16/h14-16,19H,7-13H2,1-6H3
InChIKeyJCXFYFDGADIRTA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965774
N-[(1S)-1-cyclohexylethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961036
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628732
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915
1-(1-methylpiperidin-3-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720415

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine (CID 115923462) is 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine is CC(NC1CC(C)(C)CC(C)(C)C1)C1CCCN(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is JCXFYFDGADIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(15-8-7-9-20(6)12-15)19-16-10-17(2,3)13-18(4,5)11-16/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115923462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).