2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone

C13H19N3O — CID 84627538

IUPAC2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
SMILESCc1cccc2c1N(C)CCCN2C(=O)CN
InChIInChI=1S/C13H19N3O/c1-10-5-3-6-11-13(10)15(2)7-4-8-16(11)12(17)9-14/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyMZMFWCNMBRGRGY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.13
Rot. Bonds1

About 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone

2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone (PubChem CID 84627538) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
PubChem CID84627538
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
SMILESCc1cccc2c1N(C)CCCN2C(=O)CN
InChIInChI=1S/C13H19N3O/c1-10-5-3-6-11-13(10)15(2)7-4-8-16(11)12(17)9-14/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyMZMFWCNMBRGRGY-UHFFFAOYSA-N
XLogP1.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(8-bromo-5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84645427
2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627523
1-(2-aminoacetyl)-5-methyl-3,4-dihydro-2H-1,5-benzodiazepine-7-carboxylic acid
CID 84639195
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627468
1-(2-aminoacetyl)-6-ethyl-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84638608
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
CID 119878127
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
2-(4-aminophenyl)-1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanone;dihydrochloride
CID 119889126
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone (CID 84627538) is 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone is Cc1cccc2c1N(C)CCCN2C(=O)CN.
What is the InChIKey of 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The InChIKey is MZMFWCNMBRGRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-3-6-11-13(10)15(2)7-4-8-16(11)12(17)9-14/h3,5-6H,4,7-9,14H2,1-2H3.
What are the key properties of 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone is sourced from PubChem (CID 84627538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).