(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone

C16H22N2O2 — CID 114824103

IUPAC(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCC(N)c3ccccc32)CO1
InChIInChI=1S/C16H22N2O2/c1-11-9-12(10-20-11)16(19)18-8-4-6-14(17)13-5-2-3-7-15(13)18/h2-3,5,7,11-12,14H,4,6,8-10,17H2,1H3
InChIKeyMCVHCQMFURQYTB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds1

About (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone

(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824103) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824103
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCC(N)c3ccccc32)CO1
InChIInChI=1S/C16H22N2O2/c1-11-9-12(10-20-11)16(19)18-8-4-6-14(17)13-5-2-3-7-15(13)18/h2-3,5,7,11-12,14H,4,6,8-10,17H2,1H3
InChIKeyMCVHCQMFURQYTB-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone with MolForge

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Related Compounds

(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826290
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114824255
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-ethoxyethanone
CID 114335676
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(oxolan-2-yl)ethanone
CID 114335682
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
CID 114335653
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-cyclopentylpropan-1-one
CID 114335687
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114337455

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone (CID 114824103) is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCCC(N)c3ccccc32)CO1.
What is the InChIKey of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is MCVHCQMFURQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-12(10-20-11)16(19)18-8-4-6-14(17)13-5-2-3-7-15(13)18/h2-3,5,7,11-12,14H,4,6,8-10,17H2,1H3.
What are the key properties of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone?
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).