1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one

C16H22N2O — CID 65481747

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNCCC1(CN2C(=O)CCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c17-11-10-16(8-9-16)12-18-14-6-2-1-4-13(14)5-3-7-15(18)19/h1-2,4,6H,3,5,7-12,17H2
InChIKeySDDFHAMMMAFFQA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.48
Rot. Bonds4

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 65481747) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID65481747
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNCCC1(CN2C(=O)CCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c17-11-10-16(8-9-16)12-18-14-6-2-1-4-13(14)5-3-7-15(18)19/h1-2,4,6H,3,5,7-12,17H2
InChIKeySDDFHAMMMAFFQA-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2-aminoethyl)cyclopropyl]methyl]azepane-2,7-dione
CID 65481929
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
CID 65481749
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 65481747) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one is NCCC1(CN2C(=O)CCCc3ccccc32)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is SDDFHAMMMAFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-11-10-16(8-9-16)12-18-14-6-2-1-4-13(14)5-3-7-15(18)19/h1-2,4,6H,3,5,7-12,17H2.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 65481747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).