(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine

C12H20N2 — CID 143012851

IUPAC(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine
SMILESCC/C(C)=C1\NCCC\C1=C\C=N\C
InChIInChI=1S/C12H20N2/c1-4-10(2)12-11(7-9-13-3)6-5-8-14-12/h7,9,14H,4-6,8H2,1-3H3/b11-7-,12-10-,13-9+
InChIKeyRKCSIEHYGZYLNO-CDOPJQNRSA-N
MW192.31 g/mol
LogP2.68
Rot. Bonds2

About (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine

(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine (PubChem CID 143012851) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine.

Molecular Properties

Compound Name(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine
PubChem CID143012851
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine
SMILESCC/C(C)=C1\NCCC\C1=C\C=N\C
InChIInChI=1S/C12H20N2/c1-4-10(2)12-11(7-9-13-3)6-5-8-14-12/h7,9,14H,4-6,8H2,1-3H3/b11-7-,12-10-,13-9+
InChIKeyRKCSIEHYGZYLNO-CDOPJQNRSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.68
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 (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine?
The IUPAC name of (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine (CID 143012851) is (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine.
What is the SMILES notation for (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine?
The canonical SMILES for (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine is CC/C(C)=C1\NCCC\C1=C\C=N\C.
What is the InChIKey of (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine?
The InChIKey is RKCSIEHYGZYLNO-CDOPJQNRSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-10(2)12-11(7-9-13-3)6-5-8-14-12/h7,9,14H,4-6,8H2,1-3H3/b11-7-,12-10-,13-9+.
What are the key properties of (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine?
(2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine has a molecular weight of 192.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]-N-methylethanimine is sourced from PubChem (CID 143012851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).