1-methylnaphthalene-2,3-diimine

C11H10N2 — CID 123619905

IUPAC1-methylnaphthalene-2,3-diimine
SMILES[H]/N=C1/C(C)=c2ccccc2=C/C1=N\[H]
InChIInChI=1S/C11H10N2/c1-7-9-5-3-2-4-8(9)6-10(12)11(7)13/h2-6,12-13H,1H3/b12-10+,13-11-
InChIKeyMONBTLRYIVOOEU-FAEGWCMCSA-N
MW170.22 g/mol
LogP0.69
Rot. Bonds

About 1-methylnaphthalene-2,3-diimine

1-methylnaphthalene-2,3-diimine (PubChem CID 123619905) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-methylnaphthalene-2,3-diimine.

Molecular Properties

Compound Name1-methylnaphthalene-2,3-diimine
PubChem CID123619905
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1-methylnaphthalene-2,3-diimine
SMILES[H]/N=C1/C(C)=c2ccccc2=C/C1=N\[H]
InChIInChI=1S/C11H10N2/c1-7-9-5-3-2-4-8(9)6-10(12)11(7)13/h2-6,12-13H,1H3/b12-10+,13-11-
InChIKeyMONBTLRYIVOOEU-FAEGWCMCSA-N
XLogP0.69
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 10950233
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CID 57641797
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CID 115267
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CID 134381223
CID 134381223
CID 145022994
CID 145022994
CID 20760318
CID 20760318
CID 90903828
CID 90903828
CID 129763347
CID 129763347
CID 6395985
CID 6395985
CID 12554024
CID 12554024
CID 12613657
CID 12613657

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene-2,3-diimine?
The IUPAC name of 1-methylnaphthalene-2,3-diimine (CID 123619905) is 1-methylnaphthalene-2,3-diimine.
What is the SMILES notation for 1-methylnaphthalene-2,3-diimine?
The canonical SMILES for 1-methylnaphthalene-2,3-diimine is [H]/N=C1/C(C)=c2ccccc2=C/C1=N\[H].
What is the InChIKey of 1-methylnaphthalene-2,3-diimine?
The InChIKey is MONBTLRYIVOOEU-FAEGWCMCSA-N. The full InChI is InChI=1S/C11H10N2/c1-7-9-5-3-2-4-8(9)6-10(12)11(7)13/h2-6,12-13H,1H3/b12-10+,13-11-.
What are the key properties of 1-methylnaphthalene-2,3-diimine?
1-methylnaphthalene-2,3-diimine has a molecular weight of 170.22 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene-2,3-diimine is sourced from PubChem (CID 123619905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).