N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C15H17N3 — CID 103980336

IUPACN-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1cncc(NC2CCNCc3ccccc32)c1
InChIInChI=1S/C15H17N3/c1-2-6-14-12(4-1)10-17-9-7-15(14)18-13-5-3-8-16-11-13/h1-6,8,11,15,17-18H,7,9-10H2
InChIKeyNXESBVNJARVIKP-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.73
Rot. Bonds2

About N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980336) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980336
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1cncc(NC2CCNCc3ccccc32)c1
InChIInChI=1S/C15H17N3/c1-2-6-14-12(4-1)10-17-9-7-15(14)18-13-5-3-8-16-11-13/h1-6,8,11,15,17-18H,7,9-10H2
InChIKeyNXESBVNJARVIKP-UHFFFAOYSA-N
XLogP2.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-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-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981456
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
CID 103981186
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980336) is N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1cncc(NC2CCNCc3ccccc32)c1.
What is the InChIKey of N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is NXESBVNJARVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-6-14-12(4-1)10-17-9-7-15(14)18-13-5-3-8-16-11-13/h1-6,8,11,15,17-18H,7,9-10H2.
What are the key properties of N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 239.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).