3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine

C19H28N2O — CID 89391272

About 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine

3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine (PubChem CID 89391272) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine.

Molecular Properties

• Compound Name: 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine
• PubChem CID: 89391272
• Molecular Formula: C19H28N2O
• Molecular Weight: 300.45 g/mol
• Exact Mass: 300.22
• IUPAC Name: 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine
• SMILES: C=C(COc1ccc2c(c1)CCN(C1CCC1)CC2)N(C)C
• InChI: InChI=1S/C19H28N2O/c1-15(20(2)3)14-22-19-8-7-16-9-11-21(18-5-4-6-18)12-10-17(16)13-19/h7-8,13,18H,1,4-6,9-12,14H2,2-3H3
• InChIKey: HUCGFZPWJGJFKF-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.45
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine?

The IUPAC name of 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine (CID 89391272) is 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine.

What is the SMILES notation for 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine?

The canonical SMILES for 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine is C=C(COc1ccc2c(c1)CCN(C1CCC1)CC2)N(C)C.

What is the InChIKey of 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine?

The InChIKey is HUCGFZPWJGJFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(20(2)3)14-22-19-8-7-16-9-11-21(18-5-4-6-18)12-10-17(16)13-19/h7-8,13,18H,1,4-6,9-12,14H2,2-3H3.

What are the key properties of 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine?

3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine has a molecular weight of 300.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N,N-dimethylprop-1-en-2-amine is sourced from PubChem (CID 89391272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).