2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide

C17H27N3O — CID 114336316

IUPAC2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
SMILESCNC1CCCN(C(C)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)13(3)20-11-7-9-15(18-4)14-8-5-6-10-16(14)20/h5-6,8,10,12-13,15,18H,7,9,11H2,1-4H3,(H,19,21)
InChIKeyMXNHULGARAWAHN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide

2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 114336316) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
PubChem CID114336316
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
SMILESCNC1CCCN(C(C)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)13(3)20-11-7-9-15(18-4)14-8-5-6-10-16(14)20/h5-6,8,10,12-13,15,18H,7,9,11H2,1-4H3,(H,19,21)
InChIKeyMXNHULGARAWAHN-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
CID 114336132
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335951
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114336036
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-3-carboxylic acid
CID 80564305
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 114335766

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide (CID 114336316) is 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide is CNC1CCCN(C(C)C(=O)NC(C)C)c2ccccc21.
What is the InChIKey of 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is MXNHULGARAWAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)19-17(21)13(3)20-11-7-9-15(18-4)14-8-5-6-10-16(14)20/h5-6,8,10,12-13,15,18H,7,9,11H2,1-4H3,(H,19,21).
What are the key properties of 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide?
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114336316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).