ethane;5-methyl-3-methylidenepyridin-2-imine

C9H14N2 — CID 178058618

IUPACethane;5-methyl-3-methylidenepyridin-2-imine
SMILESCC.[H]/N=C1\N=CC(C)=CC1=C
InChIInChI=1S/C7H8N2.C2H6/c1-5-3-6(2)7(8)9-4-5;1-2/h3-4,8H,2H2,1H3;1-2H3/b8-7-;
InChIKeyHJJSAMZTKVTWER-CFYXSCKTSA-N
MW150.22 g/mol
LogP2.58
Rot. Bonds

About ethane;5-methyl-3-methylidenepyridin-2-imine

ethane;5-methyl-3-methylidenepyridin-2-imine (PubChem CID 178058618) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is ethane;5-methyl-3-methylidenepyridin-2-imine.

Molecular Properties

Compound Nameethane;5-methyl-3-methylidenepyridin-2-imine
PubChem CID178058618
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Nameethane;5-methyl-3-methylidenepyridin-2-imine
SMILESCC.[H]/N=C1\N=CC(C)=CC1=C
InChIInChI=1S/C7H8N2.C2H6/c1-5-3-6(2)7(8)9-4-5;1-2/h3-4,8H,2H2,1H3;1-2H3/b8-7-;
InChIKeyHJJSAMZTKVTWER-CFYXSCKTSA-N
XLogP2.58
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-methylidenepyridin-2-imine?
The IUPAC name of ethane;5-methyl-3-methylidenepyridin-2-imine (CID 178058618) is ethane;5-methyl-3-methylidenepyridin-2-imine.
What is the SMILES notation for ethane;5-methyl-3-methylidenepyridin-2-imine?
The canonical SMILES for ethane;5-methyl-3-methylidenepyridin-2-imine is CC.[H]/N=C1\N=CC(C)=CC1=C.
What is the InChIKey of ethane;5-methyl-3-methylidenepyridin-2-imine?
The InChIKey is HJJSAMZTKVTWER-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H8N2.C2H6/c1-5-3-6(2)7(8)9-4-5;1-2/h3-4,8H,2H2,1H3;1-2H3/b8-7-;.
What are the key properties of ethane;5-methyl-3-methylidenepyridin-2-imine?
ethane;5-methyl-3-methylidenepyridin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-methylidenepyridin-2-imine is sourced from PubChem (CID 178058618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).