ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine

C10H15N3 — CID 144624911

IUPACethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine
SMILESC=Nc1ccc(C)nc1N=C.CC
InChIInChI=1S/C8H9N3.C2H6/c1-6-4-5-7(9-2)8(10-3)11-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyISXYCXZPDQVZSQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.08
Rot. Bonds2

About ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine

ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine (PubChem CID 144624911) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine.

Molecular Properties

Compound Nameethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine
PubChem CID144624911
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Nameethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine
SMILESC=Nc1ccc(C)nc1N=C.CC
InChIInChI=1S/C8H9N3.C2H6/c1-6-4-5-7(9-2)8(10-3)11-6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyISXYCXZPDQVZSQ-UHFFFAOYSA-N
XLogP3.08
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine?
The IUPAC name of ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine (CID 144624911) is ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine.
What is the SMILES notation for ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine?
The canonical SMILES for ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine is C=Nc1ccc(C)nc1N=C.CC.
What is the InChIKey of ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine?
The InChIKey is ISXYCXZPDQVZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C2H6/c1-6-4-5-7(9-2)8(10-3)11-6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine?
ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine has a molecular weight of 177.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-methyl-2-(methylideneamino)-3-pyridinyl]methanimine is sourced from PubChem (CID 144624911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).