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

C15H24N2 — CID 113361569

IUPACN-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCC(C)CNC1CCNCc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-12(2)10-17-15-8-9-16-11-13-6-4-5-7-14(13)15/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyNDKHPVQHEMKQHH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.86
Rot. Bonds4

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

N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 113361569) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID113361569
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCC(C)CNC1CCNCc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-12(2)10-17-15-8-9-16-11-13-6-4-5-7-14(13)15/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyNDKHPVQHEMKQHH-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 113361569) is N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CCC(C)CNC1CCNCc2ccccc21.
What is the InChIKey of N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is NDKHPVQHEMKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12(2)10-17-15-8-9-16-11-13-6-4-5-7-14(13)15/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 113361569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).