1,3-dibutyl-1,3-diazinan-2-one

C12H24N2O — CID 12867749

IUPAC1,3-dibutyl-1,3-diazinan-2-one
SMILESCCCCN1CCCN(CCCC)C1=O
InChIInChI=1S/C12H24N2O/c1-3-5-8-13-10-7-11-14(12(13)15)9-6-4-2/h3-11H2,1-2H3
InChIKeyGZULCIJFOUKWJS-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.71
Rot. Bonds6

About 1,3-dibutyl-1,3-diazinan-2-one

1,3-dibutyl-1,3-diazinan-2-one (PubChem CID 12867749) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,3-dibutyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-dibutyl-1,3-diazinan-2-one
PubChem CID12867749
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,3-dibutyl-1,3-diazinan-2-one
SMILESCCCCN1CCCN(CCCC)C1=O
InChIInChI=1S/C12H24N2O/c1-3-5-8-13-10-7-11-14(12(13)15)9-6-4-2/h3-11H2,1-2H3
InChIKeyGZULCIJFOUKWJS-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
CID 81646
N,N'-Diethylpropyleneurea
CID 99136
N,N'-Dipropylpropyleneurea
CID 99137
1-Piperidinecarboxamide, N,N-dimethyl-
CID 99268
1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
DMPU-HF Reagent
CID 91927152
Tetrahydro-1,3,5,5-tetramethyl-1H-pyrimidin-2-one
CID 3015520
N,N-diethylpiperidine-1-carboxamide
CID 306073
1,3,5-Tributyl-1,3,5-triazinane-2,4,6-trione
CID 617924
N,N-dimethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 45801141
N,N-dimethyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 53509262
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1,3-diazinan-2-one?
The IUPAC name of 1,3-dibutyl-1,3-diazinan-2-one (CID 12867749) is 1,3-dibutyl-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-dibutyl-1,3-diazinan-2-one?
The canonical SMILES for 1,3-dibutyl-1,3-diazinan-2-one is CCCCN1CCCN(CCCC)C1=O.
What is the InChIKey of 1,3-dibutyl-1,3-diazinan-2-one?
The InChIKey is GZULCIJFOUKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-8-13-10-7-11-14(12(13)15)9-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1,3-dibutyl-1,3-diazinan-2-one?
1,3-dibutyl-1,3-diazinan-2-one has a molecular weight of 212.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1,3-diazinan-2-one is sourced from PubChem (CID 12867749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).