2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one

C16H24N2O — CID 23554904

IUPAC2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one
SMILESCNC1C(=O)N(C(C)C)C(C)(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)18-15(19)14(17-5)13-9-7-6-8-12(13)10-16(18,3)4/h6-9,11,14,17H,10H2,1-5H3
InChIKeyJYXTZDPABZFPFW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds2

About 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one

2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one (PubChem CID 23554904) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one
PubChem CID23554904
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one
SMILESCNC1C(=O)N(C(C)C)C(C)(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)18-15(19)14(17-5)13-9-7-6-8-12(13)10-16(18,3)4/h6-9,11,14,17H,10H2,1-5H3
InChIKeyJYXTZDPABZFPFW-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one?
The IUPAC name of 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one (CID 23554904) is 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one.
What is the SMILES notation for 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one?
The canonical SMILES for 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one is CNC1C(=O)N(C(C)C)C(C)(C)Cc2ccccc21.
What is the InChIKey of 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one?
The InChIKey is JYXTZDPABZFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)18-15(19)14(17-5)13-9-7-6-8-12(13)10-16(18,3)4/h6-9,11,14,17H,10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one?
2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(methylamino)-3-propan-2-yl-1,5-dihydro-3-benzazepin-4-one is sourced from PubChem (CID 23554904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).