5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine

C17H26N2 — CID 103983588

IUPAC5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCC1CCC(C)N1C1CCNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)17-10-11-18-12-14-6-4-5-7-16(14)17/h4-7,13,15,17-18H,3,8-12H2,1-2H3
InChIKeyMODMKSHLPRUIOA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.48
Rot. Bonds2

About 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine

5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 103983588) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID103983588
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCC1CCC(C)N1C1CCNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)17-10-11-18-12-14-6-4-5-7-16(14)17/h4-7,13,15,17-18H,3,8-12H2,1-2H3
InChIKeyMODMKSHLPRUIOA-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperazine-2,6-dione
CID 103983515
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83221338
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol
CID 103983507
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
CID 103983272
5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103983111
4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938389
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 103983588) is 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine is CCC1CCC(C)N1C1CCNCc2ccccc21.
What is the InChIKey of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is MODMKSHLPRUIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15-9-8-13(2)19(15)17-10-11-18-12-14-6-4-5-7-16(14)17/h4-7,13,15,17-18H,3,8-12H2,1-2H3.
What are the key properties of 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 258.41 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 103983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).