N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine

C20H18N4 — CID 6085383

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
SMILESCN(C)c1ccc(/C=N\NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C20H18N4/c1-24(2)16-11-9-14(10-12-16)13-21-23-20-17-7-3-5-15-6-4-8-18(22-20)19(15)17/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeyWADCDWFGASZJKT-BKUYFWCQSA-N
MW314.39 g/mol
LogP3.92
Rot. Bonds3

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine (PubChem CID 6085383) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
PubChem CID6085383
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
SMILESCN(C)c1ccc(/C=N\NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C20H18N4/c1-24(2)16-11-9-14(10-12-16)13-21-23-20-17-7-3-5-15-6-4-8-18(22-20)19(15)17/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeyWADCDWFGASZJKT-BKUYFWCQSA-N
XLogP3.92
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6899627
N-[(Z)-(4-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 6007493
N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 2316098
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 50885946
N-benzo[cd]indol-2-ylhydroxylamine
CID 840643
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide
CID 173107987

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine (CID 6085383) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine is CN(C)c1ccc(/C=N\NC2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine?
The InChIKey is WADCDWFGASZJKT-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N4/c1-24(2)16-11-9-14(10-12-16)13-21-23-20-17-7-3-5-15-6-4-8-18(22-20)19(15)17/h3-13H,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6085383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).