1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane

C12H26N2O — CID 157428700

IUPAC1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
SMILESCC.CC(C)N1CCCN(C(C)C)C1=O
InChIInChI=1S/C10H20N2O.C2H6/c1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyBQGRWWZAAOTXOT-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.96
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane

1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane (PubChem CID 157428700) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
PubChem CID157428700
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
SMILESCC.CC(C)N1CCCN(C(C)C)C1=O
InChIInChI=1S/C10H20N2O.C2H6/c1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyBQGRWWZAAOTXOT-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
2,6,11,15-tetra(propan-2-yl)-2,6,11,15-tetrazatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene
CID 102478540
1-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 21025400
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-propan-2-ylazonan-2-one
CID 101216305
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one
CID 138727578
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025428
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
4-propan-2-yl-1,4-oxazepan-3-one
CID 58320691

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane?
The IUPAC name of 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane (CID 157428700) is 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane is CC.CC(C)N1CCCN(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane?
The InChIKey is BQGRWWZAAOTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-8(2)11-6-5-7-12(9(3)4)10(11)13;1-2/h8-9H,5-7H2,1-4H3;1-2H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane?
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane has a molecular weight of 214.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane is sourced from PubChem (CID 157428700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).