1-amino-3-propyl-1,3-diazinan-2-one

C7H15N3O — CID 104601098

IUPAC1-amino-3-propyl-1,3-diazinan-2-one
SMILESCCCN1CCCN(N)C1=O
InChIInChI=1S/C7H15N3O/c1-2-4-9-5-3-6-10(8)7(9)11/h2-6,8H2,1H3
InChIKeyLYVKDBQMJZBDPS-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.40
Rot. Bonds2

About 1-amino-3-propyl-1,3-diazinan-2-one

1-amino-3-propyl-1,3-diazinan-2-one (PubChem CID 104601098) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-amino-3-propyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-propyl-1,3-diazinan-2-one
PubChem CID104601098
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-amino-3-propyl-1,3-diazinan-2-one
SMILESCCCN1CCCN(N)C1=O
InChIInChI=1S/C7H15N3O/c1-2-4-9-5-3-6-10(8)7(9)11/h2-6,8H2,1H3
InChIKeyLYVKDBQMJZBDPS-UHFFFAOYSA-N
XLogP0.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-diazinan-2-one
CID 104601095
1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one
CID 104601247
1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
CID 104601295
1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
CID 104601287
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide
CID 104601260
1-amino-3-[(4-methylphenyl)methyl]-1,3-diazinan-2-one
CID 104601169
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
CID 104601266
1-amino-3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1,3-diazinan-2-one
CID 104601268
1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one
CID 113431479
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
2-(2-oxo-3-propylimidazolidin-1-yl)acetaldehyde
CID 84765786

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propyl-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-propyl-1,3-diazinan-2-one (CID 104601098) is 1-amino-3-propyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-propyl-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-propyl-1,3-diazinan-2-one is CCCN1CCCN(N)C1=O.
What is the InChIKey of 1-amino-3-propyl-1,3-diazinan-2-one?
The InChIKey is LYVKDBQMJZBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-4-9-5-3-6-10(8)7(9)11/h2-6,8H2,1H3.
What are the key properties of 1-amino-3-propyl-1,3-diazinan-2-one?
1-amino-3-propyl-1,3-diazinan-2-one has a molecular weight of 157.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propyl-1,3-diazinan-2-one is sourced from PubChem (CID 104601098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).