N-[(E)-benzylideneamino]benzo[cd]indol-2-amine

C18H13N3 — CID 6899626

IUPACN-[(E)-benzylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1
InChIInChI=1S/C18H13N3/c1-2-6-13(7-3-1)12-19-21-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-12H,(H,20,21)/b19-12+
InChIKeyBHVRGHUCIOBZDB-XDHOZWIPSA-N
MW271.32 g/mol
LogP3.86
Rot. Bonds2

About N-[(E)-benzylideneamino]benzo[cd]indol-2-amine

N-[(E)-benzylideneamino]benzo[cd]indol-2-amine (PubChem CID 6899626) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]benzo[cd]indol-2-amine
PubChem CID6899626
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC NameN-[(E)-benzylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1
InChIInChI=1S/C18H13N3/c1-2-6-13(7-3-1)12-19-21-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-12H,(H,20,21)/b19-12+
InChIKeyBHVRGHUCIOBZDB-XDHOZWIPSA-N
XLogP3.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(E)-benzylideneamino]benzo[cd]indol-2-amine (CID 6899626) is N-[(E)-benzylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(E)-benzylideneamino]benzo[cd]indol-2-amine is C(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]benzo[cd]indol-2-amine?
The InChIKey is BHVRGHUCIOBZDB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-13(7-3-1)12-19-21-18-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-12H,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-benzylideneamino]benzo[cd]indol-2-amine?
N-[(E)-benzylideneamino]benzo[cd]indol-2-amine has a molecular weight of 271.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6899626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).