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

C15H23N3O — CID 114336281

IUPACN,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)N(C)C)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-16-13-8-6-10-18(11-15(19)17(2)3)14-9-5-4-7-12(13)14/h4-5,7,9,13,16H,6,8,10-11H2,1-3H3
InChIKeyNAUBXNCHVPYLOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds3

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

N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide (PubChem CID 114336281) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
PubChem CID114336281
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)N(C)C)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-16-13-8-6-10-18(11-15(19)17(2)3)14-9-5-4-7-12(13)14/h4-5,7,9,13,16H,6,8,10-11H2,1-3H3
InChIKeyNAUBXNCHVPYLOJ-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
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
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1-[3-(dimethylamino)propyl]-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524574
N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335951

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide (CID 114336281) is N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide is CNC1CCCN(CC(=O)N(C)C)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide?
The InChIKey is NAUBXNCHVPYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-13-8-6-10-18(11-15(19)17(2)3)14-9-5-4-7-12(13)14/h4-5,7,9,13,16H,6,8,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide?
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide is sourced from PubChem (CID 114336281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).