3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one

C10H19N3O — CID 20527021

IUPAC3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one
SMILESCCNC(C)C1CNC(=O)CC(C)=N1
InChIInChI=1S/C10H19N3O/c1-4-11-8(3)9-6-12-10(14)5-7(2)13-9/h8-9,11H,4-6H2,1-3H3,(H,12,14)
InChIKeyCQLZFHHAUPQDGV-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.33
Rot. Bonds3

About 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one

3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one (PubChem CID 20527021) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one
PubChem CID20527021
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one
SMILESCCNC(C)C1CNC(=O)CC(C)=N1
InChIInChI=1S/C10H19N3O/c1-4-11-8(3)9-6-12-10(14)5-7(2)13-9/h8-9,11H,4-6H2,1-3H3,(H,12,14)
InChIKeyCQLZFHHAUPQDGV-UHFFFAOYSA-N
XLogP0.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one?
The IUPAC name of 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one (CID 20527021) is 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one is CCNC(C)C1CNC(=O)CC(C)=N1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one?
The InChIKey is CQLZFHHAUPQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-8(3)9-6-12-10(14)5-7(2)13-9/h8-9,11H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one?
3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one has a molecular weight of 197.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-5-methyl-1,2,3,6-tetrahydro-1,4-diazepin-7-one is sourced from PubChem (CID 20527021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).