3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane

C21H28N2 — CID 144534685

IUPAC3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane
SMILESCC.NC1CCC(N2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C19H22N2.C2H6/c20-16-11-12-17(13-16)21-18-7-3-1-5-14(18)9-10-15-6-2-4-8-19(15)21;1-2/h1-8,16-17H,9-13,20H2;1-2H3
InChIKeyXIKCAGOUYXURTG-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.83
Rot. Bonds1

About 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane (PubChem CID 144534685) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane.

Molecular Properties

Compound Name3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane
PubChem CID144534685
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane
SMILESCC.NC1CCC(N2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C19H22N2.C2H6/c20-16-11-12-17(13-16)21-18-7-3-1-5-14(18)9-10-15-6-2-4-8-19(15)21;1-2/h1-8,16-17H,9-13,20H2;1-2H3
InChIKeyXIKCAGOUYXURTG-UHFFFAOYSA-N
XLogP4.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane?
The IUPAC name of 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane (CID 144534685) is 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane.
What is the SMILES notation for 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane?
The canonical SMILES for 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane is CC.NC1CCC(N2c3ccccc3CCc3ccccc32)C1.
What is the InChIKey of 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane?
The InChIKey is XIKCAGOUYXURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.C2H6/c20-16-11-12-17(13-16)21-18-7-3-1-5-14(18)9-10-15-6-2-4-8-19(15)21;1-2/h1-8,16-17H,9-13,20H2;1-2H3.
What are the key properties of 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane?
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane has a molecular weight of 308.47 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclopentan-1-amine;ethane is sourced from PubChem (CID 144534685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).