2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine

C17H20N4 — CID 135424615

IUPAC2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine
SMILESCN(C)CC/N=C1\Nc2ccccc2Nc2ccccc21
InChIInChI=1S/C17H20N4/c1-21(2)12-11-18-17-13-7-3-4-8-14(13)19-15-9-5-6-10-16(15)20-17/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyOLOFXFDIRZVSRW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.16
Rot. Bonds3

About 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine

2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine (PubChem CID 135424615) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine
PubChem CID135424615
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine
SMILESCN(C)CC/N=C1\Nc2ccccc2Nc2ccccc21
InChIInChI=1S/C17H20N4/c1-21(2)12-11-18-17-13-7-3-4-8-14(13)19-15-9-5-6-10-16(15)20-17/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyOLOFXFDIRZVSRW-UHFFFAOYSA-N
XLogP3.16
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine (CID 135424615) is 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine is CN(C)CC/N=C1\Nc2ccccc2Nc2ccccc21.
What is the InChIKey of 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine?
The InChIKey is OLOFXFDIRZVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21(2)12-11-18-17-13-7-3-4-8-14(13)19-15-9-5-6-10-16(15)20-17/h3-10,19H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine?
2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine is sourced from PubChem (CID 135424615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).