1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one

C12H25N3O — CID 139401205

IUPAC1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one
SMILESCN(C)CCN1C(=O)CN(C)CCC1(C)C
InChIInChI=1S/C12H25N3O/c1-12(2)6-7-14(5)10-11(16)15(12)9-8-13(3)4/h6-10H2,1-5H3
InChIKeyRNKOYADAGNFFSG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one

1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one (PubChem CID 139401205) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one
PubChem CID139401205
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one
SMILESCN(C)CCN1C(=O)CN(C)CCC1(C)C
InChIInChI=1S/C12H25N3O/c1-12(2)6-7-14(5)10-11(16)15(12)9-8-13(3)4/h6-10H2,1-5H3
InChIKeyRNKOYADAGNFFSG-UHFFFAOYSA-N
XLogP0.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one (CID 139401205) is 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one is CN(C)CCN1C(=O)CN(C)CCC1(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one?
The InChIKey is RNKOYADAGNFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2)6-7-14(5)10-11(16)15(12)9-8-13(3)4/h6-10H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one?
1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one has a molecular weight of 227.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one is sourced from PubChem (CID 139401205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).