1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one

C10H19N3O — CID 84774559

IUPAC1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCN1CCCN(C2CC2)C1=O
InChIInChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3
InChIKeyATUTWCNLYDABLX-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.50
Rot. Bonds4

About 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one

1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one (PubChem CID 84774559) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
PubChem CID84774559
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
SMILESCNCCN1CCCN(C2CC2)C1=O
InChIInChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3
InChIKeyATUTWCNLYDABLX-UHFFFAOYSA-N
XLogP0.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
CID 84774558
3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
CID 84781306
1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
CID 84782376
2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide
CID 142004867
1-piperidin-4-yl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84807583
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
CID 169185862
4-ethyl-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981220
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
CID 115102147
1-cyclobutyl-3-(ethoxymethyl)imidazolidin-2-one
CID 166943016
1-(2-hydroxyphenyl)-3-[2-(methylamino)ethyl]imidazolidin-2-one
CID 84797425
1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one
CID 59948063

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one (CID 84774559) is 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one is CNCCN1CCCN(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
The InChIKey is ATUTWCNLYDABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-5-8-12-6-2-7-13(10(12)14)9-3-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one?
1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 84774559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).