2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone

C13H19N3O — CID 84627523

IUPAC2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
SMILESCc1ccc2c(c1)N(C)CCCN2C(=O)CN
InChIInChI=1S/C13H19N3O/c1-10-4-5-11-12(8-10)15(2)6-3-7-16(11)13(17)9-14/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyYFJRRYYYHVPETN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.13
Rot. Bonds1

About 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone

2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone (PubChem CID 84627523) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
PubChem CID84627523
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
SMILESCc1ccc2c(c1)N(C)CCCN2C(=O)CN
InChIInChI=1S/C13H19N3O/c1-10-4-5-11-12(8-10)15(2)6-3-7-16(11)13(17)9-14/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyYFJRRYYYHVPETN-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

1-(2-aminoacetyl)-5-methyl-3,4-dihydro-2H-1,5-benzodiazepine-7-carboxylic acid
CID 84639195
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
2-amino-1-(8-bromo-5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84645427
2-(1,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)acetic acid
CID 84627799
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
ethane;1,4,6-trimethyl-2,3-dihydroquinoxaline
CID 91027227
1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 167849670
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
CID 91911956
3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone (CID 84627523) is 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone is Cc1ccc2c(c1)N(C)CCCN2C(=O)CN.
What is the InChIKey of 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
The InChIKey is YFJRRYYYHVPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-4-5-11-12(8-10)15(2)6-3-7-16(11)13(17)9-14/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone?
2-amino-1-(5,7-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-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone is sourced from PubChem (CID 84627523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).