2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide

C17H27N3O — CID 114336473

IUPAC2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
SMILESCCCNC1CCCN(C(CC)C(N)=O)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-11-19-14-9-7-12-20(15(4-2)17(18)21)16-10-6-5-8-13(14)16/h5-6,8,10,14-15,19H,3-4,7,9,11-12H2,1-2H3,(H2,18,21)
InChIKeyIFJSOJXZHFSQTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds6

About 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide

2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide (PubChem CID 114336473) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide.

Molecular Properties

Compound Name2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
PubChem CID114336473
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide
SMILESCCCNC1CCCN(C(CC)C(N)=O)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-11-19-14-9-7-12-20(15(4-2)17(18)21)16-10-6-5-8-13(14)16/h5-6,8,10,14-15,19H,3-4,7,9,11-12H2,1-2H3,(H2,18,21)
InChIKeyIFJSOJXZHFSQTE-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2-cyclobutyl-1-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 103161311
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114524582
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-methylpentan-1-one
CID 114873303
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
CID 114384644
2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]butanamide
CID 114337268
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 64990279
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454

Frequently Asked Questions

What is the IUPAC name of 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide?
The IUPAC name of 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide (CID 114336473) is 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide.
What is the SMILES notation for 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide?
The canonical SMILES for 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide is CCCNC1CCCN(C(CC)C(N)=O)c2ccccc21.
What is the InChIKey of 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide?
The InChIKey is IFJSOJXZHFSQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-11-19-14-9-7-12-20(15(4-2)17(18)21)16-10-6-5-8-13(14)16/h5-6,8,10,14-15,19H,3-4,7,9,11-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide?
2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butanamide is sourced from PubChem (CID 114336473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).