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

C16H26N2O — CID 119050032

IUPACN-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCCOC(C)(C)CNC1CCCNc2ccccc21
InChIInChI=1S/C16H26N2O/c1-4-19-16(2,3)12-18-15-10-7-11-17-14-9-6-5-8-13(14)15/h5-6,8-9,15,17-18H,4,7,10-12H2,1-3H3
InChIKeyRVNOMIKTUOWXEH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds5

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

N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 119050032) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID119050032
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCCOC(C)(C)CNC1CCCNc2ccccc21
InChIInChI=1S/C16H26N2O/c1-4-19-16(2,3)12-18-15-10-7-11-17-14-9-6-5-8-13(14)15/h5-6,8-9,15,17-18H,4,7,10-12H2,1-3H3
InChIKeyRVNOMIKTUOWXEH-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 119050032) is N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is CCOC(C)(C)CNC1CCCNc2ccccc21.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is RVNOMIKTUOWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16(2,3)12-18-15-10-7-11-17-14-9-6-5-8-13(14)15/h5-6,8-9,15,17-18H,4,7,10-12H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 262.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 119050032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).