10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

C12H19N3O — CID 82392329

IUPAC10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCc1cc(=O)n2c(c1CN)N(C)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-7-11(16)15-6-4-3-5-14(2)12(15)10(9)8-13/h7H,3-6,8,13H2,1-2H3
InChIKeyYVISNPCRSCZBSR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.85
Rot. Bonds1

About 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 82392329) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
PubChem CID82392329
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCc1cc(=O)n2c(c1CN)N(C)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-7-11(16)15-6-4-3-5-14(2)12(15)10(9)8-13/h7H,3-6,8,13H2,1-2H3
InChIKeyYVISNPCRSCZBSR-UHFFFAOYSA-N
XLogP0.85
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (CID 82392329) is 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is Cc1cc(=O)n2c(c1CN)N(C)CCCC2.
What is the InChIKey of 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is YVISNPCRSCZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-11(16)15-6-4-3-5-14(2)12(15)10(9)8-13/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 221.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 82392329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).