(3Z)-3-ethylidene-N-methylpiperidin-4-imine

C8H14N2 — CID 143890086

IUPAC(3Z)-3-ethylidene-N-methylpiperidin-4-imine
SMILESC/C=C1/CNCC/C1=N\C
InChIInChI=1S/C8H14N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,4-6H2,1-2H3/b7-3-,9-8+
InChIKeyPVBUVLJPWGVOKS-UHCVJZAXSA-N
MW138.21 g/mol
LogP1.00
Rot. Bonds

About (3Z)-3-ethylidene-N-methylpiperidin-4-imine

(3Z)-3-ethylidene-N-methylpiperidin-4-imine (PubChem CID 143890086) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-methylpiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-methylpiperidin-4-imine
PubChem CID143890086
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-3-ethylidene-N-methylpiperidin-4-imine
SMILESC/C=C1/CNCC/C1=N\C
InChIInChI=1S/C8H14N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,4-6H2,1-2H3/b7-3-,9-8+
InChIKeyPVBUVLJPWGVOKS-UHCVJZAXSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 (3Z)-3-ethylidene-N-methylpiperidin-4-imine?
The IUPAC name of (3Z)-3-ethylidene-N-methylpiperidin-4-imine (CID 143890086) is (3Z)-3-ethylidene-N-methylpiperidin-4-imine.
What is the SMILES notation for (3Z)-3-ethylidene-N-methylpiperidin-4-imine?
The canonical SMILES for (3Z)-3-ethylidene-N-methylpiperidin-4-imine is C/C=C1/CNCC/C1=N\C.
What is the InChIKey of (3Z)-3-ethylidene-N-methylpiperidin-4-imine?
The InChIKey is PVBUVLJPWGVOKS-UHCVJZAXSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,4-6H2,1-2H3/b7-3-,9-8+.
What are the key properties of (3Z)-3-ethylidene-N-methylpiperidin-4-imine?
(3Z)-3-ethylidene-N-methylpiperidin-4-imine has a molecular weight of 138.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-methylpiperidin-4-imine is sourced from PubChem (CID 143890086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).