(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine

C14H24N2 — CID 155171246

IUPAC(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine
SMILESC=C/N=C/C=C(\C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H24N2/c1-5-15-9-6-13(4)16-10-7-14(8-11-16)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b13-6+,15-9+
InChIKeyFDKNGEBMNOIWRY-DRLGAWKGSA-N
MW220.36 g/mol
LogP3.47
Rot. Bonds4

About (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine

(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine (PubChem CID 155171246) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine
PubChem CID155171246
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine
SMILESC=C/N=C/C=C(\C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H24N2/c1-5-15-9-6-13(4)16-10-7-14(8-11-16)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b13-6+,15-9+
InChIKeyFDKNGEBMNOIWRY-DRLGAWKGSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.47
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 (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine (CID 155171246) is (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine is C=C/N=C/C=C(\C)N1CCC(C(C)C)CC1.
What is the InChIKey of (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine?
The InChIKey is FDKNGEBMNOIWRY-DRLGAWKGSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-15-9-6-13(4)16-10-7-14(8-11-16)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b13-6+,15-9+.
What are the key properties of (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine?
(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine has a molecular weight of 220.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 155171246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).