2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C21H22BrN3 — CID 122223638

IUPAC2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILES[H]/N=C(\c1ccccc1)c1ccc2ccc(Br)c(N(C)C)c2c1N(C)C
InChIInChI=1S/C21H22BrN3/c1-24(2)20-16(19(23)15-8-6-5-7-9-15)12-10-14-11-13-17(22)21(18(14)20)25(3)4/h5-13,23H,1-4H3/b23-19+
InChIKeySLQSBPRJTKXRFP-FCDQGJHFSA-N
MW396.33 g/mol
LogP5.15
Rot. Bonds4

About 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 122223638) has the molecular formula C21H22BrN3 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID122223638
Molecular FormulaC21H22BrN3
Molecular Weight396.33 g/mol
Exact Mass395.10
IUPAC Name2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILES[H]/N=C(\c1ccccc1)c1ccc2ccc(Br)c(N(C)C)c2c1N(C)C
InChIInChI=1S/C21H22BrN3/c1-24(2)20-16(19(23)15-8-6-5-7-9-15)12-10-14-11-13-17(22)21(18(14)20)25(3)4/h5-13,23H,1-4H3/b23-19+
InChIKeySLQSBPRJTKXRFP-FCDQGJHFSA-N
XLogP5.15
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 86198794
2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 122223639
2,7-Dibromo-N~1~,N~1~,N~8~,N~8~-tetramethylnaphthalene-1,8-diamine
CID 71350739
9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine
CID 91119396
1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine
CID 122223630
6-Bromo-2-(4-methylphenyl)-1-prop-2-enylbenzo[cd]indol-1-ium
CID 58659769
6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine
CID 67262049
N-benzyl-2-bromo-N-methylnaphthalen-1-amine
CID 118356880
6-bromo-N,2-dimethylnaphthalen-1-amine
CID 123772538
3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine
CID 137385019
6-bromo-N,N-dimethyl-3-phenylnaphthalen-1-amine
CID 141763114
3-(4-bromophenyl)-N,N-dimethylnaphthalen-1-amine
CID 141763118

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 122223638) is 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is [H]/N=C(\c1ccccc1)c1ccc2ccc(Br)c(N(C)C)c2c1N(C)C.
What is the InChIKey of 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is SLQSBPRJTKXRFP-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H22BrN3/c1-24(2)20-16(19(23)15-8-6-5-7-9-15)12-10-14-11-13-17(22)21(18(14)20)25(3)4/h5-13,23H,1-4H3/b23-19+.
What are the key properties of 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 396.33 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 122223638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).