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

C8H17N3O — CID 82412046

IUPAC1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
SMILESCCN1CCCN(CCN)C1=O
InChIInChI=1S/C8H17N3O/c1-2-10-5-3-6-11(7-4-9)8(10)12/h2-7,9H2,1H3
InChIKeyKLRNWKWOAPQKCT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds3

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

1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one (PubChem CID 82412046) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
PubChem CID82412046
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
SMILESCCN1CCCN(CCN)C1=O
InChIInChI=1S/C8H17N3O/c1-2-10-5-3-6-11(7-4-9)8(10)12/h2-7,9H2,1H3
InChIKeyKLRNWKWOAPQKCT-UHFFFAOYSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169449581
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1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
CID 84774558
3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 139841119
1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
1-(3-chloropropyl)-3-ethylimidazolidin-2-one
CID 15078469
3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
CID 112546783
1-ethyl-3-iodoimidazolidin-2-one
CID 174258160
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1,3-dibutylimidazolidin-2-one
CID 20887

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one (CID 82412046) is 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one is CCN1CCCN(CCN)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one?
The InChIKey is KLRNWKWOAPQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-5-3-6-11(7-4-9)8(10)12/h2-7,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one?
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.09, 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-ethyl-1,3-diazinan-2-one is sourced from PubChem (CID 82412046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).