3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine

C13H24N2 — CID 166963475

IUPAC3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine
SMILES[H]/N=C(\CC(CC)=C(C)C)C1CCNCC1
InChIInChI=1S/C13H24N2/c1-4-11(10(2)3)9-13(14)12-5-7-15-8-6-12/h12,14-15H,4-9H2,1-3H3/b14-13+
InChIKeyDQKPJUPNYGKLRS-BUHFOSPRSA-N
MW208.35 g/mol
LogP3.14
Rot. Bonds4

About 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine

3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine (PubChem CID 166963475) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine
PubChem CID166963475
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine
SMILES[H]/N=C(\CC(CC)=C(C)C)C1CCNCC1
InChIInChI=1S/C13H24N2/c1-4-11(10(2)3)9-13(14)12-5-7-15-8-6-12/h12,14-15H,4-9H2,1-3H3/b14-13+
InChIKeyDQKPJUPNYGKLRS-BUHFOSPRSA-N
XLogP3.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine?
The IUPAC name of 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine (CID 166963475) is 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine.
What is the SMILES notation for 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine?
The canonical SMILES for 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine is [H]/N=C(\CC(CC)=C(C)C)C1CCNCC1.
What is the InChIKey of 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine?
The InChIKey is DQKPJUPNYGKLRS-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-11(10(2)3)9-13(14)12-5-7-15-8-6-12/h12,14-15H,4-9H2,1-3H3/b14-13+.
What are the key properties of 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine?
3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine is sourced from PubChem (CID 166963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).