5-(aminomethyl)-2-methyldiazinan-3-one

C6H13N3O — CID 84648864

IUPAC5-(aminomethyl)-2-methyldiazinan-3-one
SMILESCN1NCC(CN)CC1=O
InChIInChI=1S/C6H13N3O/c1-9-6(10)2-5(3-7)4-8-9/h5,8H,2-4,7H2,1H3
InChIKeyAJGBRZVNXLPXJR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.07
Rot. Bonds1

About 5-(aminomethyl)-2-methyldiazinan-3-one

5-(aminomethyl)-2-methyldiazinan-3-one (PubChem CID 84648864) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyldiazinan-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyldiazinan-3-one
PubChem CID84648864
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name5-(aminomethyl)-2-methyldiazinan-3-one
SMILESCN1NCC(CN)CC1=O
InChIInChI=1S/C6H13N3O/c1-9-6(10)2-5(3-7)4-8-9/h5,8H,2-4,7H2,1H3
InChIKeyAJGBRZVNXLPXJR-UHFFFAOYSA-N
XLogP-1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
CID 83694375
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
sodium;4-(aminomethyl)pyrrolidin-2-one;hydride
CID 173198416
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
CID 104523323
6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
CID 143680577
4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
CID 142081535
5-(aminomethyl)piperidin-2-one
CID 10749203
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
4-amino-1-methylpyrrolidin-2-one;ethane
CID 145355415
4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
CID 168659615
4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
CID 168658687

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyldiazinan-3-one?
The IUPAC name of 5-(aminomethyl)-2-methyldiazinan-3-one (CID 84648864) is 5-(aminomethyl)-2-methyldiazinan-3-one.
What is the SMILES notation for 5-(aminomethyl)-2-methyldiazinan-3-one?
The canonical SMILES for 5-(aminomethyl)-2-methyldiazinan-3-one is CN1NCC(CN)CC1=O.
What is the InChIKey of 5-(aminomethyl)-2-methyldiazinan-3-one?
The InChIKey is AJGBRZVNXLPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-9-6(10)2-5(3-7)4-8-9/h5,8H,2-4,7H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyldiazinan-3-one?
5-(aminomethyl)-2-methyldiazinan-3-one has a molecular weight of 143.19 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyldiazinan-3-one is sourced from PubChem (CID 84648864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).