N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine

C18H26N2 — CID 134560273

IUPACN-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine
SMILESC=C/C=C1/C=CC(/C(=C/N=C(\C)CC)CC)=CN1CC
InChIInChI=1S/C18H26N2/c1-6-10-18-12-11-17(14-20(18)9-4)16(8-3)13-19-15(5)7-2/h6,10-14H,1,7-9H2,2-5H3/b16-13+,18-10-,19-15+
InChIKeyVTGNAXODRTXSPQ-HCXGBTJGSA-N
MW270.42 g/mol
LogP5.00
Rot. Bonds6

About N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine

N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine (PubChem CID 134560273) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine
PubChem CID134560273
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine
SMILESC=C/C=C1/C=CC(/C(=C/N=C(\C)CC)CC)=CN1CC
InChIInChI=1S/C18H26N2/c1-6-10-18-12-11-17(14-20(18)9-4)16(8-3)13-19-15(5)7-2/h6,10-14H,1,7-9H2,2-5H3/b16-13+,18-10-,19-15+
InChIKeyVTGNAXODRTXSPQ-HCXGBTJGSA-N
XLogP5.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 55.00
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 N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine?
The IUPAC name of N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine (CID 134560273) is N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine?
The canonical SMILES for N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine is C=C/C=C1/C=CC(/C(=C/N=C(\C)CC)CC)=CN1CC.
What is the InChIKey of N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine?
The InChIKey is VTGNAXODRTXSPQ-HCXGBTJGSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-10-18-12-11-17(14-20(18)9-4)16(8-3)13-19-15(5)7-2/h6,10-14H,1,7-9H2,2-5H3/b16-13+,18-10-,19-15+.
What are the key properties of N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine?
N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine has a molecular weight of 270.42 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(6Z)-1-ethyl-6-prop-2-enylidene-3-pyridinyl]but-1-enyl]butan-2-imine is sourced from PubChem (CID 134560273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).