2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine

C12H24N2 — CID 174639777

IUPAC2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
SMILES[H]/N=C(/C1CCNCC1)C(CC)C(C)C
InChIInChI=1S/C12H24N2/c1-4-11(9(2)3)12(13)10-5-7-14-8-6-10/h9-11,13-14H,4-8H2,1-3H3/b13-12-
InChIKeyOEQBBJUZEUEUTK-SEYXRHQNSA-N
MW196.34 g/mol
LogP2.69
Rot. Bonds4

About 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine

2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine (PubChem CID 174639777) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
PubChem CID174639777
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
SMILES[H]/N=C(/C1CCNCC1)C(CC)C(C)C
InChIInChI=1S/C12H24N2/c1-4-11(9(2)3)12(13)10-5-7-14-8-6-10/h9-11,13-14H,4-8H2,1-3H3/b13-12-
InChIKeyOEQBBJUZEUEUTK-SEYXRHQNSA-N
XLogP2.69
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?
The IUPAC name of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine (CID 174639777) is 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine.
What is the SMILES notation for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?
The canonical SMILES for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine is [H]/N=C(/C1CCNCC1)C(CC)C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?
The InChIKey is OEQBBJUZEUEUTK-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-11(9(2)3)12(13)10-5-7-14-8-6-10/h9-11,13-14H,4-8H2,1-3H3/b13-12-.
What are the key properties of 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine?
2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine has a molecular weight of 196.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine is sourced from PubChem (CID 174639777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).