(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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Related Compounds

1,11-Diazatetracyclo[13.2.2.04,12.05,10]nonadeca-2,4,6,8,10,12,14-heptaene
CID 54020179
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
2-(1-Piperidin-1-ylethyl)azocine;dihydrochloride
CID 67711383
1,7-Diazatricyclo[6.2.2.23,6]tetradeca-3(14),4,6-triene
CID 68084730
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
CID 90718109
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
1-[(3E,4E)-3-(2-cyclohexa-1,5-dien-1-yl-2-ethenyliminoethylidene)hepta-4,6-dien-2-yl]-N,N-diethylpiperidin-4-amine
CID 117611664
5,6-Dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium
CID 123238844
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
N-[[4-[(1-pentan-2-ylpiperidin-4-ylidene)methylidene]cyclohexa-1,5-dien-1-yl]methyl]butan-2-imine
CID 123432257

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).