methanamine;2-methylbenzonitrile

C9H12N2 — CID 144641248

IUPACmethanamine;2-methylbenzonitrile
SMILESCN.Cc1ccccc1C#N
InChIInChI=1S/C8H7N.CH5N/c1-7-4-2-3-5-8(7)6-9;1-2/h2-5H,1H3;2H2,1H3
InChIKeySCLJLVKHOMEYTH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.44
Rot. Bonds

About methanamine;2-methylbenzonitrile

methanamine;2-methylbenzonitrile (PubChem CID 144641248) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is methanamine;2-methylbenzonitrile.

Molecular Properties

Compound Namemethanamine;2-methylbenzonitrile
PubChem CID144641248
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Namemethanamine;2-methylbenzonitrile
SMILESCN.Cc1ccccc1C#N
InChIInChI=1S/C8H7N.CH5N/c1-7-4-2-3-5-8(7)6-9;1-2/h2-5H,1H3;2H2,1H3
InChIKeySCLJLVKHOMEYTH-UHFFFAOYSA-N
XLogP1.44
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbenzonitrile
CID 162098401
azane;2-methylbenzonitrile
CID 158673628
1,2-diisocyanobenzene;2-methylbenzonitrile;propane
CID 159852662
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;ethane;2-methylbenzonitrile
CID 91473726
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
2-ethynyl-3-methylbenzonitrile
CID 173092424
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(3-chloropropyl)-3-methylbenzonitrile
CID 118847834
3-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333

Frequently Asked Questions

What is the IUPAC name of methanamine;2-methylbenzonitrile?
The IUPAC name of methanamine;2-methylbenzonitrile (CID 144641248) is methanamine;2-methylbenzonitrile.
What is the SMILES notation for methanamine;2-methylbenzonitrile?
The canonical SMILES for methanamine;2-methylbenzonitrile is CN.Cc1ccccc1C#N.
What is the InChIKey of methanamine;2-methylbenzonitrile?
The InChIKey is SCLJLVKHOMEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.CH5N/c1-7-4-2-3-5-8(7)6-9;1-2/h2-5H,1H3;2H2,1H3.
What are the key properties of methanamine;2-methylbenzonitrile?
methanamine;2-methylbenzonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylbenzonitrile is sourced from PubChem (CID 144641248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).