4-methyl-4-propan-2-yl-1,3-diazinan-2-one

C8H16N2O — CID 105430538

IUPAC4-methyl-4-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1(C)CCNC(=O)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyBIFBESODDKCHBF-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds1

About 4-methyl-4-propan-2-yl-1,3-diazinan-2-one

4-methyl-4-propan-2-yl-1,3-diazinan-2-one (PubChem CID 105430538) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-1,3-diazinan-2-one
PubChem CID105430538
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-methyl-4-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1(C)CCNC(=O)N1
InChIInChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyBIFBESODDKCHBF-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-methyl-4-propan-2-yl-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
5-Methyl-5-(2-methylpropyl)-1,3-diazinan-2-one
CID 257063
N-propyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)urea
CID 2277117
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
Dihydro-4,4,6-trimethyl-2(1H)-pyrimidinon
CID 55283878
1-[2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 60569589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one (CID 105430538) is 4-methyl-4-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one is CC(C)C1(C)CCNC(=O)N1.
What is the InChIKey of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is BIFBESODDKCHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)8(3)4-5-9-7(11)10-8/h6H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-methyl-4-propan-2-yl-1,3-diazinan-2-one?
4-methyl-4-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 105430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).