1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

C12H16N2O — CID 70564314

IUPAC1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESCC(=O)N1CCCc2ccc(N)cc2C1
InChIInChI=1S/C12H16N2O/c1-9(15)14-6-2-3-10-4-5-12(13)7-11(10)8-14/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyMRNGANKSDNUMTE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.56
Rot. Bonds

About 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (PubChem CID 70564314) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
PubChem CID70564314
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESCC(=O)N1CCCc2ccc(N)cc2C1
InChIInChI=1S/C12H16N2O/c1-9(15)14-6-2-3-10-4-5-12(13)7-11(10)8-14/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyMRNGANKSDNUMTE-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-tert-butylphenyl)methanone
CID 28707230
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
1-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylpropan-1-one
CID 66000085
1-(7-methylsulfinyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 23336529
8-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 18536400
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
CID 67108071
1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 69424274
1-(8-chloro-9-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 70563406
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860424
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
CID 53487766

Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The IUPAC name of 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (CID 70564314) is 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.
What is the SMILES notation for 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The canonical SMILES for 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is CC(=O)N1CCCc2ccc(N)cc2C1.
What is the InChIKey of 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The InChIKey is MRNGANKSDNUMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)14-6-2-3-10-4-5-12(13)7-11(10)8-14/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is sourced from PubChem (CID 70564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).