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

C15H24N2 — CID 63155260

IUPACN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-2-9-16-10-12-17-11-5-8-14-6-3-4-7-15(14)13-17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyMLDBVICJTUPWLZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds5

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

N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine (PubChem CID 63155260) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
PubChem CID63155260
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-2-9-16-10-12-17-11-5-8-14-6-3-4-7-15(14)13-17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyMLDBVICJTUPWLZ-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-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-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63153946
3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63152688
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 62575146
N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine (CID 63155260) is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine is CCCNCCN1CCCc2ccccc2C1.
What is the InChIKey of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine?
The InChIKey is MLDBVICJTUPWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-9-16-10-12-17-11-5-8-14-6-3-4-7-15(14)13-17/h3-4,6-7,16H,2,5,8-13H2,1H3.
What are the key properties of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine?
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).