1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C13H20N2 — CID 114336204

IUPAC1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCN1CCCC(NC)c2ccccc21
InChIInChI=1S/C13H20N2/c1-3-15-10-6-8-12(14-2)11-7-4-5-9-13(11)15/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3
InChIKeyBRMNNIZDYRRCAV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds2

About 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336204) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336204
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCN1CCCC(NC)c2ccccc21
InChIInChI=1S/C13H20N2/c1-3-15-10-6-8-12(14-2)11-7-4-5-9-13(11)15/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3
InChIKeyBRMNNIZDYRRCAV-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
N-methyl-1-[(2-methyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040747
1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 4252433
N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335951
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336346
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1,4-diethyl-3,4-dihydro-2H-quinoline
CID 90169118

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336204) is 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCN1CCCC(NC)c2ccccc21.
What is the InChIKey of 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is BRMNNIZDYRRCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15-10-6-8-12(14-2)11-7-4-5-9-13(11)15/h4-5,7,9,12,14H,3,6,8,10H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).