2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C17H25N3O — CID 114336036

IUPAC2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCCC(N)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-13(17(21)19-10-4-5-11-19)20-12-6-8-15(18)14-7-2-3-9-16(14)20/h2-3,7,9,13,15H,4-6,8,10-12,18H2,1H3
InChIKeyWFWPHTJMAHHPEH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.30
Rot. Bonds2

About 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114336036) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114336036
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCCC(N)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-13(17(21)19-10-4-5-11-19)20-12-6-8-15(18)14-7-2-3-9-16(14)20/h2-3,7,9,13,15H,4-6,8,10-12,18H2,1H3
InChIKeyWFWPHTJMAHHPEH-UHFFFAOYSA-N
XLogP2.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 114337576
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
CID 114336132
1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336030
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
(2S)-2-[(4S)-4-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 125478055
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 114336036) is 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCCC(N)c2ccccc21.
What is the InChIKey of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WFWPHTJMAHHPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(17(21)19-10-4-5-11-19)20-12-6-8-15(18)14-7-2-3-9-16(14)20/h2-3,7,9,13,15H,4-6,8,10-12,18H2,1H3.
What are the key properties of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 287.41 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114336036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).