5-(aminomethyl)-1-methyl-1,3-diazinan-2-one

C6H13N3O — CID 83694375

IUPAC5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1CC(CN)CNC1=O
InChIInChI=1S/C6H13N3O/c1-9-4-5(2-7)3-8-6(9)10/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyOVGDSFIVIKTHSC-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.78
Rot. Bonds1

About 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one

5-(aminomethyl)-1-methyl-1,3-diazinan-2-one (PubChem CID 83694375) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
PubChem CID83694375
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
SMILESCN1CC(CN)CNC1=O
InChIInChI=1S/C6H13N3O/c1-9-4-5(2-7)3-8-6(9)10/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyOVGDSFIVIKTHSC-UHFFFAOYSA-N
XLogP-0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
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5-(aminomethyl)-2-methyldiazinan-3-one
CID 84648864
sodium;4-(aminomethyl)pyrrolidin-2-one;hydride
CID 173198416
5-(aminomethyl)piperidin-2-one
CID 10749203
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
CID 58093274
(6R)-6-(aminomethyl)-1-methylpiperazine-2,3-dione
CID 66596527
4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
CID 142081535
5-iodo-1-methylimidazolidin-2-one
CID 149054105
(5S)-5-(cyclopropylmethyl)-1-methylimidazolidin-2-one
CID 169096197
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one (CID 83694375) is 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one is CN1CC(CN)CNC1=O.
What is the InChIKey of 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one?
The InChIKey is OVGDSFIVIKTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-9-4-5(2-7)3-8-6(9)10/h5H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one?
5-(aminomethyl)-1-methyl-1,3-diazinan-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 83694375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).