2-(3-aminobutyl)-1-ethyldiazinan-3-one

C10H21N3O — CID 105452412

IUPAC2-(3-aminobutyl)-1-ethyldiazinan-3-one
SMILESCCN1CCCC(=O)N1CCC(C)N
InChIInChI=1S/C10H21N3O/c1-3-12-7-4-5-10(14)13(12)8-6-9(2)11/h9H,3-8,11H2,1-2H3
InChIKeyCJDMEGXBEKAHBT-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(3-aminobutyl)-1-ethyldiazinan-3-one

2-(3-aminobutyl)-1-ethyldiazinan-3-one (PubChem CID 105452412) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-aminobutyl)-1-ethyldiazinan-3-one.

Molecular Properties

Compound Name2-(3-aminobutyl)-1-ethyldiazinan-3-one
PubChem CID105452412
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3-aminobutyl)-1-ethyldiazinan-3-one
SMILESCCN1CCCC(=O)N1CCC(C)N
InChIInChI=1S/C10H21N3O/c1-3-12-7-4-5-10(14)13(12)8-6-9(2)11/h9H,3-8,11H2,1-2H3
InChIKeyCJDMEGXBEKAHBT-UHFFFAOYSA-N
XLogP0.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one
CID 105465353
1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
CID 105468011
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
CID 105467990
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-1-ethyldiazinan-3-one?
The IUPAC name of 2-(3-aminobutyl)-1-ethyldiazinan-3-one (CID 105452412) is 2-(3-aminobutyl)-1-ethyldiazinan-3-one.
What is the SMILES notation for 2-(3-aminobutyl)-1-ethyldiazinan-3-one?
The canonical SMILES for 2-(3-aminobutyl)-1-ethyldiazinan-3-one is CCN1CCCC(=O)N1CCC(C)N.
What is the InChIKey of 2-(3-aminobutyl)-1-ethyldiazinan-3-one?
The InChIKey is CJDMEGXBEKAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-12-7-4-5-10(14)13(12)8-6-9(2)11/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(3-aminobutyl)-1-ethyldiazinan-3-one?
2-(3-aminobutyl)-1-ethyldiazinan-3-one has a molecular weight of 199.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-1-ethyldiazinan-3-one is sourced from PubChem (CID 105452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).