[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone

C17H24N2O2 — CID 114335766

IUPAC[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone
SMILESCNC1CCCN(C(=O)C2(C)CCCO2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-17(10-6-12-21-17)16(20)19-11-5-8-14(18-2)13-7-3-4-9-15(13)19/h3-4,7,9,14,18H,5-6,8,10-12H2,1-2H3
InChIKeyDUBHXNCFVATGAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.64
Rot. Bonds2

About [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone

[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone (PubChem CID 114335766) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone
PubChem CID114335766
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone
SMILESCNC1CCCN(C(=O)C2(C)CCCO2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-17(10-6-12-21-17)16(20)19-11-5-8-14(18-2)13-7-3-4-9-15(13)19/h3-4,7,9,14,18H,5-6,8,10-12H2,1-2H3
InChIKeyDUBHXNCFVATGAI-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-propoxyethanone
CID 107937221
1-(2-methyloxolane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902441
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114335740
[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79157886
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone?
The IUPAC name of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone (CID 114335766) is [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone.
What is the SMILES notation for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone?
The canonical SMILES for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone is CNC1CCCN(C(=O)C2(C)CCCO2)c2ccccc21.
What is the InChIKey of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone?
The InChIKey is DUBHXNCFVATGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(10-6-12-21-17)16(20)19-11-5-8-14(18-2)13-7-3-4-9-15(13)19/h3-4,7,9,14,18H,5-6,8,10-12H2,1-2H3.
What are the key properties of [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone?
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114335766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).