(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine

C14H20N2 — CID 90152403

IUPAC(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
SMILESC/N=C/C=C\C=C(/C)C1(C)C=CC=CN1C
InChIInChI=1S/C14H20N2/c1-13(9-5-7-11-15-3)14(2)10-6-8-12-16(14)4/h5-12H,1-4H3/b7-5-,13-9+,15-11+
InChIKeyJMNACYISLBDYSZ-IPOVVDCWSA-N
MW216.33 g/mol
LogP2.96
Rot. Bonds3

About (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine

(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine (PubChem CID 90152403) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
PubChem CID90152403
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
SMILESC/N=C/C=C\C=C(/C)C1(C)C=CC=CN1C
InChIInChI=1S/C14H20N2/c1-13(9-5-7-11-15-3)14(2)10-6-8-12-16(14)4/h5-12H,1-4H3/b7-5-,13-9+,15-11+
InChIKeyJMNACYISLBDYSZ-IPOVVDCWSA-N
XLogP2.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.96
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 (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine (CID 90152403) is (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine is C/N=C/C=C\C=C(/C)C1(C)C=CC=CN1C.
What is the InChIKey of (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine?
The InChIKey is JMNACYISLBDYSZ-IPOVVDCWSA-N. The full InChI is InChI=1S/C14H20N2/c1-13(9-5-7-11-15-3)14(2)10-6-8-12-16(14)4/h5-12H,1-4H3/b7-5-,13-9+,15-11+.
What are the key properties of (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine?
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine has a molecular weight of 216.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 90152403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).