1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one

C10H19N3O — CID 84774558

IUPAC1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
SMILESNCCN1CCCN(C2CCC2)C1=O
InChIInChI=1S/C10H19N3O/c11-5-8-12-6-2-7-13(10(12)14)9-3-1-4-9/h9H,1-8,11H2
InChIKeyHLABQZLBXDORMI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds3

About 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one

1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one (PubChem CID 84774558) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
PubChem CID84774558
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
SMILESNCCN1CCCN(C2CCC2)C1=O
InChIInChI=1S/C10H19N3O/c11-5-8-12-6-2-7-13(10(12)14)9-3-1-4-9/h9H,1-8,11H2
InChIKeyHLABQZLBXDORMI-UHFFFAOYSA-N
XLogP0.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
CID 84782376
3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
CID 84781306
1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
CID 84774559
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
1-cyclobutyl-3-(ethoxymethyl)imidazolidin-2-one
CID 166943016
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
(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 176916712
1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
CID 105440757
1-(2-aminoethyl)-3-(2-hydroxyethyl)imidazolidin-2-one
CID 169449581
(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537136
1-[1-(2-aminoethyl)piperidin-4-yl]-4-cyclobutylimidazolidin-2-one
CID 116979342

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one (CID 84774558) is 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one is NCCN1CCCN(C2CCC2)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one?
The InChIKey is HLABQZLBXDORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-5-8-12-6-2-7-13(10(12)14)9-3-1-4-9/h9H,1-8,11H2.
What are the key properties of 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one?
1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one is sourced from PubChem (CID 84774558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).