(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine

C13H20N2 — CID 170342421

IUPAC(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(C)/C=C/N1CCCCC1
InChIInChI=1S/C13H20N2/c1-3-14-9-7-13(2)8-12-15-10-5-4-6-11-15/h3,7-9,12H,1,4-6,10-11H2,2H3/b12-8+,13-7+,14-9+
InChIKeyQKNVDIKVOUWTRO-FDAJJCGFSA-N
MW204.32 g/mol
LogP3.15
Rot. Bonds4

About (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine

(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine (PubChem CID 170342421) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
PubChem CID170342421
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(C)/C=C/N1CCCCC1
InChIInChI=1S/C13H20N2/c1-3-14-9-7-13(2)8-12-15-10-5-4-6-11-15/h3,7-9,12H,1,4-6,10-11H2,2H3/b12-8+,13-7+,14-9+
InChIKeyQKNVDIKVOUWTRO-FDAJJCGFSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine (CID 170342421) is (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine is C=C/N=C/C=C(C)/C=C/N1CCCCC1.
What is the InChIKey of (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine?
The InChIKey is QKNVDIKVOUWTRO-FDAJJCGFSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-14-9-7-13(2)8-12-15-10-5-4-6-11-15/h3,7-9,12H,1,4-6,10-11H2,2H3/b12-8+,13-7+,14-9+.
What are the key properties of (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine?
(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine has a molecular weight of 204.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 170342421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).