1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one

C14H20N2O — CID 61388037

IUPAC1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNCCCN1C(=O)CCCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-15-10-5-11-16-13-8-3-2-6-12(13)7-4-9-14(16)17/h2-3,6,8,15H,4-5,7,9-11H2,1H3
InChIKeyJFZPROHCBSLEPF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.97
Rot. Bonds4

About 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 61388037) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID61388037
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNCCCN1C(=O)CCCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-15-10-5-11-16-13-8-3-2-6-12(13)7-4-9-14(16)17/h2-3,6,8,15H,4-5,7,9-11H2,1H3
InChIKeyJFZPROHCBSLEPF-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
CID 110729989
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-[3-[2-(1-ethyl-6,7-dihydroinden-1-yl)ethylamino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 142131388
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 65481747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 61388037) is 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one is CNCCCN1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is JFZPROHCBSLEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-10-5-11-16-13-8-3-2-6-12(13)7-4-9-14(16)17/h2-3,6,8,15H,4-5,7,9-11H2,1H3.
What are the key properties of 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 61388037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).