1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one

C11H21N3O2 — CID 104601266

IUPAC1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
SMILESNN1CCCN(CCCC2CCCO2)C1=O
InChIInChI=1S/C11H21N3O2/c12-14-8-3-7-13(11(14)15)6-1-4-10-5-2-9-16-10/h10H,1-9,12H2
InChIKeyVQFSUBVDFHTJQV-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.95
Rot. Bonds4

About 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one

1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one (PubChem CID 104601266) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
PubChem CID104601266
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
SMILESNN1CCCN(CCCC2CCCO2)C1=O
InChIInChI=1S/C11H21N3O2/c12-14-8-3-7-13(11(14)15)6-1-4-10-5-2-9-16-10/h10H,1-9,12H2
InChIKeyVQFSUBVDFHTJQV-UHFFFAOYSA-N
XLogP0.95
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091376
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
CID 114500283
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one (CID 104601266) is 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one is NN1CCCN(CCCC2CCCO2)C1=O.
What is the InChIKey of 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one?
The InChIKey is VQFSUBVDFHTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-14-8-3-7-13(11(14)15)6-1-4-10-5-2-9-16-10/h10H,1-9,12H2.
What are the key properties of 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one?
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one is sourced from PubChem (CID 104601266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).