(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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Related Compounds

(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Bis(3 pyridylidene)piperidin
CID 132275763
N-[3-butyl-6-(difluoromethyl)-1,2-dihydropyridin-4-yl]ethanimine
CID 154643434
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine
CID 90814858
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
(Z,4Z)-4-(2-methylidenepiperidin-3-ylidene)but-2-en-2-amine
CID 122448736
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
[3-Ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
CID 123661743

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).