6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine

C14H14N2 — CID 23876509

IUPAC6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
SMILESNc1ccc2c(c1)CCc1ccccc1N2
InChIInChI=1S/C14H14N2/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)16-14/h1-4,7-9,16H,5-6,15H2
InChIKeyUTTLHQHSNUSOQE-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.11
Rot. Bonds

About 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine

6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine (PubChem CID 23876509) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine.

Molecular Properties

Compound Name6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
PubChem CID23876509
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
SMILESNc1ccc2c(c1)CCc1ccccc1N2
InChIInChI=1S/C14H14N2/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)16-14/h1-4,7-9,16H,5-6,15H2
InChIKeyUTTLHQHSNUSOQE-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine?
The IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine (CID 23876509) is 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine.
What is the SMILES notation for 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine?
The canonical SMILES for 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine is Nc1ccc2c(c1)CCc1ccccc1N2.
What is the InChIKey of 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine?
The InChIKey is UTTLHQHSNUSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)16-14/h1-4,7-9,16H,5-6,15H2.
What are the key properties of 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine?
6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine has a molecular weight of 210.28 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine is sourced from PubChem (CID 23876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).