5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide

C15H15N3 — CID 23503715

IUPAC5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide
SMILES[H]/N=C(\N)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H15N3/c16-15(17)18-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H3,16,17)
InChIKeyPTURHIWXWZCHAS-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.82
Rot. Bonds

About 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide

5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide (PubChem CID 23503715) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide.

Molecular Properties

Compound Name5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide
PubChem CID23503715
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide
SMILES[H]/N=C(\N)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H15N3/c16-15(17)18-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H3,16,17)
InChIKeyPTURHIWXWZCHAS-UHFFFAOYSA-N
XLogP2.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide?
The IUPAC name of 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide (CID 23503715) is 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide.
What is the SMILES notation for 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide?
The canonical SMILES for 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide is [H]/N=C(\N)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide?
The InChIKey is PTURHIWXWZCHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-15(17)18-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H3,16,17).
What are the key properties of 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide?
5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[b][1]benzazepine-11-carboximidamide is sourced from PubChem (CID 23503715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).