1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione

C11H21N3O2 — CID 64960108

IUPAC1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(CCCN(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-9-11(16)14(7-4-6-13(2)3)8-5-10(15)12-9/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyQTWHNJGMRZJBTE-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.32
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione

1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64960108) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64960108
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(CCCN(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-9-11(16)14(7-4-6-13(2)3)8-5-10(15)12-9/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyQTWHNJGMRZJBTE-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-methylsulfanylhexyl)-1,4-diazepane-2,5-dione
CID 114124782
1-(3,3-dimethylbutyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64883352
1-but-3-ynyl-3-methyl-1,4-diazepane-2,5-dione
CID 64972576
2-[3-(dimethylamino)propyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944185
(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 124510324
3-ethyl-1-(3-ethylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 65096322
1-[4-(dimethylamino)butyl]-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64968681
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532
1-(3-methoxypropyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884105
3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958129
3-cyclopropyl-1-(3-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 64972038
1-[4-(dimethylamino)butyl]piperidine-2,4-dione
CID 79516662

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione (CID 64960108) is 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(CCCN(C)C)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is QTWHNJGMRZJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-11(16)14(7-4-6-13(2)3)8-5-10(15)12-9/h9H,4-8H2,1-3H3,(H,12,15).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione?
1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 227.31 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64960108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).