6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide

C15H15N3 — CID 86056242

IUPAC6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C15H15N3/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)18-14(11)9-12/h1-4,7-9,18H,5-6H2,(H3,16,17)
InChIKeyWNJADOSZFAJIPV-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.81
Rot. Bonds1

About 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide

6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide (PubChem CID 86056242) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide.

Molecular Properties

Compound Name6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide
PubChem CID86056242
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C15H15N3/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)18-14(11)9-12/h1-4,7-9,18H,5-6H2,(H3,16,17)
InChIKeyWNJADOSZFAJIPV-UHFFFAOYSA-N
XLogP2.81
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide?
The IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide (CID 86056242) is 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide.
What is the SMILES notation for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide?
The canonical SMILES for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide?
The InChIKey is WNJADOSZFAJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)18-14(11)9-12/h1-4,7-9,18H,5-6H2,(H3,16,17).
What are the key properties of 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide?
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboximidamide is sourced from PubChem (CID 86056242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).