1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H33N3 — CID 104746881

IUPAC1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCNC(CN1CC(C)C(N(C)C)C1)C1CCCCC1
InChIInChI=1S/C16H33N3/c1-13-10-19(12-16(13)18(3)4)11-15(17-2)14-8-6-5-7-9-14/h13-17H,5-12H2,1-4H3
InChIKeyVSROQTVAHTVECK-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 104746881) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID104746881
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCNC(CN1CC(C)C(N(C)C)C1)C1CCCCC1
InChIInChI=1S/C16H33N3/c1-13-10-19(12-16(13)18(3)4)11-15(17-2)14-8-6-5-7-9-14/h13-17H,5-12H2,1-4H3
InChIKeyVSROQTVAHTVECK-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 113448343
1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
CID 67773410
1-cyclopentyl-2-(3,5-dimethylpiperidin-1-yl)-N-methylethanamine
CID 104744232
1-[2-cyclopentyl-2-(methylamino)ethyl]azetidin-3-ol
CID 67772010
N,N,4-trimethyl-1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 81475324
1-cyclohexyl-N-methyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 113447979
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
1-cyclopentyl-N-methyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744362

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 104746881) is 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CNC(CN1CC(C)C(N(C)C)C1)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is VSROQTVAHTVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13-10-19(12-16(13)18(3)4)11-15(17-2)14-8-6-5-7-9-14/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 104746881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).