1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one

C13H27N3O — CID 114085707

IUPAC1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCN(C)CC1C
InChIInChI=1S/C13H27N3O/c1-6-14-13(3,4)12(17)16-9-7-8-15(5)10-11(16)2/h11,14H,6-10H2,1-5H3
InChIKeyWUOZIJBHTQDERI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds3

About 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one

1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 114085707) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID114085707
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCN(C)CC1C
InChIInChI=1S/C13H27N3O/c1-6-14-13(3,4)12(17)16-9-7-8-15(5)10-11(16)2/h11,14H,6-10H2,1-5H3
InChIKeyWUOZIJBHTQDERI-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-2-methyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 79930660
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 82747461
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
3-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)hexan-1-one
CID 114085729
(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114085692
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 114087381
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one (CID 114085707) is 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCCN(C)CC1C.
What is the InChIKey of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is WUOZIJBHTQDERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-14-13(3,4)12(17)16-9-7-8-15(5)10-11(16)2/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).