4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C18H18N2 — CID 53315161

IUPAC4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1N
InChIInChI=1S/C18H18N2/c1-20(2)18-10-7-13(12-17(18)19)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,19H2,1-2H3/b15-11+
InChIKeyGMMGDUYICFIGBW-RVDMUPIBSA-N
MW262.36 g/mol
LogP3.90
Rot. Bonds2

About 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 53315161) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID53315161
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1N
InChIInChI=1S/C18H18N2/c1-20(2)18-10-7-13(12-17(18)19)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,19H2,1-2H3/b15-11+
InChIKeyGMMGDUYICFIGBW-RVDMUPIBSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 53315161) is 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1N.
What is the InChIKey of 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is GMMGDUYICFIGBW-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(2)18-10-7-13(12-17(18)19)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,19H2,1-2H3/b15-11+.
What are the key properties of 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 262.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 53315161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).