2-amino-6-methylbenzonitrile;ethane

C10H14N2 — CID 164904428

IUPAC2-amino-6-methylbenzonitrile;ethane
SMILESCC.Cc1cccc(N)c1C#N
InChIInChI=1S/C8H8N2.C2H6/c1-6-3-2-4-8(10)7(6)5-9;1-2/h2-4H,10H2,1H3;1-2H3
InChIKeyMECGEKDEPSSVHJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.48
Rot. Bonds

About 2-amino-6-methylbenzonitrile;ethane

2-amino-6-methylbenzonitrile;ethane (PubChem CID 164904428) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-amino-6-methylbenzonitrile;ethane.

Molecular Properties

Compound Name2-amino-6-methylbenzonitrile;ethane
PubChem CID164904428
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-amino-6-methylbenzonitrile;ethane
SMILESCC.Cc1cccc(N)c1C#N
InChIInChI=1S/C8H8N2.C2H6/c1-6-3-2-4-8(10)7(6)5-9;1-2/h2-4H,10H2,1H3;1-2H3
InChIKeyMECGEKDEPSSVHJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylbenzonitrile;ethane?
The IUPAC name of 2-amino-6-methylbenzonitrile;ethane (CID 164904428) is 2-amino-6-methylbenzonitrile;ethane.
What is the SMILES notation for 2-amino-6-methylbenzonitrile;ethane?
The canonical SMILES for 2-amino-6-methylbenzonitrile;ethane is CC.Cc1cccc(N)c1C#N.
What is the InChIKey of 2-amino-6-methylbenzonitrile;ethane?
The InChIKey is MECGEKDEPSSVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-6-3-2-4-8(10)7(6)5-9;1-2/h2-4H,10H2,1H3;1-2H3.
What are the key properties of 2-amino-6-methylbenzonitrile;ethane?
2-amino-6-methylbenzonitrile;ethane has a molecular weight of 162.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylbenzonitrile;ethane is sourced from PubChem (CID 164904428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).