2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

C11H23N3O — CID 114536651

IUPAC2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCCNCC(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C11H23N3O/c1-5-12-6-11(15)14-7-9(2)13(4)10(3)8-14/h9-10,12H,5-8H2,1-4H3
InChIKeySHMYRVNGRVXZSI-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds3

About 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone

2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 114536651) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
PubChem CID114536651
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCCNCC(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C11H23N3O/c1-5-12-6-11(15)14-7-9(2)13(4)10(3)8-14/h9-10,12H,5-8H2,1-4H3
InChIKeySHMYRVNGRVXZSI-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536706
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
1-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)ethanone
CID 103814597
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
4-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536826
N-methyl-2-oxo-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]ethanesulfonamide
CID 136582285
2-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]sulfanylacetic acid
CID 114543531
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63633328

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone (CID 114536651) is 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is CCNCC(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is SHMYRVNGRVXZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-12-6-11(15)14-7-9(2)13(4)10(3)8-14/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone?
2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 213.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 114536651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).