(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine

C14H22N2 — CID 167290552

IUPAC(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine
SMILESC=C/C=C1/CN(C(C)(C)C)CC/C1=N\C=C
InChIInChI=1S/C14H22N2/c1-6-8-12-11-16(14(3,4)5)10-9-13(12)15-7-2/h6-8H,1-2,9-11H2,3-5H3/b12-8-,15-13+
InChIKeyDBRNFVCVCFPBIB-KAIXQLJBSA-N
MW218.34 g/mol
LogP3.19
Rot. Bonds2

About (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine

(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine (PubChem CID 167290552) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine
PubChem CID167290552
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine
SMILESC=C/C=C1/CN(C(C)(C)C)CC/C1=N\C=C
InChIInChI=1S/C14H22N2/c1-6-8-12-11-16(14(3,4)5)10-9-13(12)15-7-2/h6-8H,1-2,9-11H2,3-5H3/b12-8-,15-13+
InChIKeyDBRNFVCVCFPBIB-KAIXQLJBSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
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)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine?
The IUPAC name of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine (CID 167290552) is (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine.
What is the SMILES notation for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine?
The canonical SMILES for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine is C=C/C=C1/CN(C(C)(C)C)CC/C1=N\C=C.
What is the InChIKey of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine?
The InChIKey is DBRNFVCVCFPBIB-KAIXQLJBSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-8-12-11-16(14(3,4)5)10-9-13(12)15-7-2/h6-8H,1-2,9-11H2,3-5H3/b12-8-,15-13+.
What are the key properties of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine?
(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine has a molecular weight of 218.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepiperidin-4-imine is sourced from PubChem (CID 167290552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).