(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine

C20H30N2 — CID 143565470

IUPAC(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine
SMILESC=C/C=C(\C=C/CCCCCCCN1C=CCC=C1)/C=N/C
InChIInChI=1S/C20H30N2/c1-3-14-20(19-21-2)15-10-7-5-4-6-8-11-16-22-17-12-9-13-18-22/h3,10,12-15,17-19H,1,4-9,11,16H2,2H3/b15-10-,20-14+,21-19+
InChIKeyYHUIUUXROUUCPX-NQOCPHKJSA-N
MW298.47 g/mol
LogP5.43
Rot. Bonds11

About (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine

(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine (PubChem CID 143565470) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine.

Molecular Properties

Compound Name(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine
PubChem CID143565470
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine
SMILESC=C/C=C(\C=C/CCCCCCCN1C=CCC=C1)/C=N/C
InChIInChI=1S/C20H30N2/c1-3-14-20(19-21-2)15-10-7-5-4-6-8-11-16-22-17-12-9-13-18-22/h3,10,12-15,17-19H,1,4-9,11,16H2,2H3/b15-10-,20-14+,21-19+
InChIKeyYHUIUUXROUUCPX-NQOCPHKJSA-N
XLogP5.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium
CID 155692520
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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine?
The IUPAC name of (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine (CID 143565470) is (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine.
What is the SMILES notation for (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine?
The canonical SMILES for (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine is C=C/C=C(\C=C/CCCCCCCN1C=CCC=C1)/C=N/C.
What is the InChIKey of (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine?
The InChIKey is YHUIUUXROUUCPX-NQOCPHKJSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-14-20(19-21-2)15-10-7-5-4-6-8-11-16-22-17-12-9-13-18-22/h3,10,12-15,17-19H,1,4-9,11,16H2,2H3/b15-10-,20-14+,21-19+.
What are the key properties of (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine?
(Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine has a molecular weight of 298.47 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-methyl-2-prop-2-enylidene-11-(4H-pyridin-1-yl)undec-3-en-1-imine is sourced from PubChem (CID 143565470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).