2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine

C17H34N2O — CID 106589038

IUPAC2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCCC(COC)C1
InChIInChI=1S/C17H34N2O/c1-13-8-14(2)16(17(9-13)18-3)11-19-7-5-6-15(10-19)12-20-4/h13-18H,5-12H2,1-4H3
InChIKeyNOBXQFYSEYANAC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.62
Rot. Bonds5

About 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 106589038) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID106589038
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCCC(COC)C1
InChIInChI=1S/C17H34N2O/c1-13-8-14(2)16(17(9-13)18-3)11-19-7-5-6-15(10-19)12-20-4/h13-18H,5-12H2,1-4H3
InChIKeyNOBXQFYSEYANAC-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
CID 79945669
N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
CID 79164305
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
2-[4-(methoxymethyl)piperidin-1-yl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752559
1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408673
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
CID 66245194
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine (CID 106589038) is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1CN1CCCC(COC)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is NOBXQFYSEYANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-8-14(2)16(17(9-13)18-3)11-19-7-5-6-15(10-19)12-20-4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 106589038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).