4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine

C13H24N2 — CID 143059291

IUPAC4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
SMILESC=CC/C=N/C.CC=C1CCN(C)CC1
InChIInChI=1S/C8H15N.C5H9N/c1-3-8-4-6-9(2)7-5-8;1-3-4-5-6-2/h3H,4-7H2,1-2H3;3,5H,1,4H2,2H3/b;6-5+
InChIKeyGZKFPOBSSYAZRK-MXDQRGINSA-N
MW208.35 g/mol
LogP2.92
Rot. Bonds2

About 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine

4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine (PubChem CID 143059291) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine.

Molecular Properties

Compound Name4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
PubChem CID143059291
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
SMILESC=CC/C=N/C.CC=C1CCN(C)CC1
InChIInChI=1S/C8H15N.C5H9N/c1-3-8-4-6-9(2)7-5-8;1-3-4-5-6-2/h3H,4-7H2,1-2H3;3,5H,1,4H2,2H3/b;6-5+
InChIKeyGZKFPOBSSYAZRK-MXDQRGINSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
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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Related Compounds

1-(6-methylhept-5-enyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 134837657
N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
2-(4-Ethylidenepiperidin-1-yl)ethanimine
CID 129270348
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
CID 143171835
5-[(3-Methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
CID 145106243

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine?
The IUPAC name of 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine (CID 143059291) is 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine.
What is the SMILES notation for 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine?
The canonical SMILES for 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine is C=CC/C=N/C.CC=C1CCN(C)CC1.
What is the InChIKey of 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine?
The InChIKey is GZKFPOBSSYAZRK-MXDQRGINSA-N. The full InChI is InChI=1S/C8H15N.C5H9N/c1-3-8-4-6-9(2)7-5-8;1-3-4-5-6-2/h3H,4-7H2,1-2H3;3,5H,1,4H2,2H3/b;6-5+.
What are the key properties of 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine?
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine is sourced from PubChem (CID 143059291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).