10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

C12H19N3O — CID 82392334

IUPAC10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCN1CCCCn2c1c(CCN)ccc2=O
InChIInChI=1S/C12H19N3O/c1-14-8-2-3-9-15-11(16)5-4-10(6-7-13)12(14)15/h4-5H,2-3,6-9,13H2,1H3
InChIKeyWZSWLPRXKXTOKI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.58
Rot. Bonds2

About 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 82392334) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
PubChem CID82392334
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCN1CCCCn2c1c(CCN)ccc2=O
InChIInChI=1S/C12H19N3O/c1-14-8-2-3-9-15-11(16)5-4-10(6-7-13)12(14)15/h4-5H,2-3,6-9,13H2,1H3
InChIKeyWZSWLPRXKXTOKI-UHFFFAOYSA-N
XLogP0.58
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (CID 82392334) is 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is CN1CCCCn2c1c(CCN)ccc2=O.
What is the InChIKey of 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is WZSWLPRXKXTOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-8-2-3-9-15-11(16)5-4-10(6-7-13)12(14)15/h4-5H,2-3,6-9,13H2,1H3.
What are the key properties of 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 221.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 82392334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).