2-(2-aminoethyl)-1-methyldiazinan-3-one

C7H15N3O — CID 105430708

IUPAC2-(2-aminoethyl)-1-methyldiazinan-3-one
SMILESCN1CCCC(=O)N1CCN
InChIInChI=1S/C7H15N3O/c1-9-5-2-3-7(11)10(9)6-4-8/h2-6,8H2,1H3
InChIKeyBSRRVVPXXWUEDR-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.59
Rot. Bonds2

About 2-(2-aminoethyl)-1-methyldiazinan-3-one

2-(2-aminoethyl)-1-methyldiazinan-3-one (PubChem CID 105430708) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-methyldiazinan-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-methyldiazinan-3-one
PubChem CID105430708
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(2-aminoethyl)-1-methyldiazinan-3-one
SMILESCN1CCCC(=O)N1CCN
InChIInChI=1S/C7H15N3O/c1-9-5-2-3-7(11)10(9)6-4-8/h2-6,8H2,1H3
InChIKeyBSRRVVPXXWUEDR-UHFFFAOYSA-N
XLogP-0.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
CID 145123754
1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one
CID 105434825
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
N',N'-diethylmethanediamine;ethane;1-methylpyrrolidin-2-one
CID 170732304
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
1-(2-aminoethyl)piperidin-3-one;hydrochloride
CID 115015277
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
1-methylpyrrolidin-2-one;urea
CID 141281161

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-methyldiazinan-3-one?
The IUPAC name of 2-(2-aminoethyl)-1-methyldiazinan-3-one (CID 105430708) is 2-(2-aminoethyl)-1-methyldiazinan-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-1-methyldiazinan-3-one?
The canonical SMILES for 2-(2-aminoethyl)-1-methyldiazinan-3-one is CN1CCCC(=O)N1CCN.
What is the InChIKey of 2-(2-aminoethyl)-1-methyldiazinan-3-one?
The InChIKey is BSRRVVPXXWUEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-5-2-3-7(11)10(9)6-4-8/h2-6,8H2,1H3.
What are the key properties of 2-(2-aminoethyl)-1-methyldiazinan-3-one?
2-(2-aminoethyl)-1-methyldiazinan-3-one has a molecular weight of 157.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-methyldiazinan-3-one is sourced from PubChem (CID 105430708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).