1,3-dimethyl-1,5-diazocan-2-one

C8H16N2O — CID 13418870

IUPAC1,3-dimethyl-1,5-diazocan-2-one
SMILESCC1CNCCCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-7-6-9-4-3-5-10(2)8(7)11/h7,9H,3-6H2,1-2H3
InChIKeyNDGGHQSQUKTFEU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds

About 1,3-dimethyl-1,5-diazocan-2-one

1,3-dimethyl-1,5-diazocan-2-one (PubChem CID 13418870) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-dimethyl-1,5-diazocan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-1,5-diazocan-2-one
PubChem CID13418870
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,3-dimethyl-1,5-diazocan-2-one
SMILESCC1CNCCCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-7-6-9-4-3-5-10(2)8(7)11/h7,9H,3-6H2,1-2H3
InChIKeyNDGGHQSQUKTFEU-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylpropyl)-1,5-diazocan-2-one
CID 117014993
1-(3,5-dimethylphenyl)-3-methyl-1,5-diazocan-2-one
CID 117015023
1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866
4-(3-methyl-2-oxo-1,5-diazocan-1-yl)benzonitrile
CID 117015060
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
6-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]-1,4-diazepan-5-one
CID 115100401
1,4,6-trimethyl-1,4-diazocane-5,8-dione
CID 118659197
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,5-diazocan-2-one?
The IUPAC name of 1,3-dimethyl-1,5-diazocan-2-one (CID 13418870) is 1,3-dimethyl-1,5-diazocan-2-one.
What is the SMILES notation for 1,3-dimethyl-1,5-diazocan-2-one?
The canonical SMILES for 1,3-dimethyl-1,5-diazocan-2-one is CC1CNCCCN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-1,5-diazocan-2-one?
The InChIKey is NDGGHQSQUKTFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-6-9-4-3-5-10(2)8(7)11/h7,9H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,5-diazocan-2-one?
1,3-dimethyl-1,5-diazocan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,5-diazocan-2-one is sourced from PubChem (CID 13418870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).