1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine

C16H32N2 — CID 64737654

IUPAC1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-12-9-13(2)11-15(10-12)18-8-6-5-7-16(18)14(3)17-4/h12-17H,5-11H2,1-4H3
InChIKeyRYCVXOSTHZSPNI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine

1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine (PubChem CID 64737654) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine
PubChem CID64737654
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-12-9-13(2)11-15(10-12)18-8-6-5-7-16(18)14(3)17-4/h12-17H,5-11H2,1-4H3
InChIKeyRYCVXOSTHZSPNI-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
CID 64731145
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
CID 114337931
4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 63855383
1-cyclobutyl-2-propan-2-ylpiperidine
CID 130669810
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64730948
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine
CID 63254221
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
1-(3,5-dimethylcyclohexyl)-N-methylpiperidin-4-amine
CID 64737071
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine (CID 64737654) is 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1C1CC(C)CC(C)C1.
What is the InChIKey of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is RYCVXOSTHZSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-9-13(2)11-15(10-12)18-8-6-5-7-16(18)14(3)17-4/h12-17H,5-11H2,1-4H3.
What are the key properties of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine?
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 64737654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).