1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine

C16H33N3 — CID 104746281

IUPAC1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
SMILESCCC1CN(CC(NC)C2CCCCC2)CCN1C
InChIInChI=1S/C16H33N3/c1-4-15-12-19(11-10-18(15)3)13-16(17-2)14-8-6-5-7-9-14/h14-17H,4-13H2,1-3H3
InChIKeyORUYMEKONNVVKO-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine

1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine (PubChem CID 104746281) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
PubChem CID104746281
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
SMILESCCC1CN(CC(NC)C2CCCCC2)CCN1C
InChIInChI=1S/C16H33N3/c1-4-15-12-19(11-10-18(15)3)13-16(17-2)14-8-6-5-7-9-14/h14-17H,4-13H2,1-3H3
InChIKeyORUYMEKONNVVKO-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 104746276
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
1-cyclohexyl-N-methyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 113447979
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
CID 67773410
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile
CID 55216978
1-cyclopentyl-N-methyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744362
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-cyclopentyl-N-methylethanamine
CID 104746104

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine (CID 104746281) is 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine is CCC1CN(CC(NC)C2CCCCC2)CCN1C.
What is the InChIKey of 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine?
The InChIKey is ORUYMEKONNVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-15-12-19(11-10-18(15)3)13-16(17-2)14-8-6-5-7-9-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine?
1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine is sourced from PubChem (CID 104746281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).