N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C16H24N2O — CID 106397426

IUPACN-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESC=CCCOCCNC1CCNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-2-3-11-19-12-10-18-16-8-9-17-13-14-6-4-5-7-15(14)16/h2,4-7,16-18H,1,3,8-13H2
InChIKeyZTORWGQWCUBRLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 106397426) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID106397426
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESC=CCCOCCNC1CCNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-2-3-11-19-12-10-18-16-8-9-17-13-14-6-4-5-7-15(14)16/h2,4-7,16-18H,1,3,8-13H2
InChIKeyZTORWGQWCUBRLN-UHFFFAOYSA-N
XLogP2.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-but-3-enoxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 106397426) is N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is C=CCCOCCNC1CCNCc2ccccc21.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is ZTORWGQWCUBRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-11-19-12-10-18-16-8-9-17-13-14-6-4-5-7-15(14)16/h2,4-7,16-18H,1,3,8-13H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 260.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 106397426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).