(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine

C12H16N2 — CID 70306674

IUPAC(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
SMILESC/C=C1/C=CC=N/C1=N\C=C/C(C)C
InChIInChI=1S/C12H16N2/c1-4-11-6-5-8-13-12(11)14-9-7-10(2)3/h4-10H,1-3H3/b9-7-,11-4-,14-12-
InChIKeyLUKHBFFNPIQCGR-AAKYXNFRSA-N
MW188.27 g/mol
LogP3.14
Rot. Bonds2

About (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine

(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine (PubChem CID 70306674) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
PubChem CID70306674
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
SMILESC/C=C1/C=CC=N/C1=N\C=C/C(C)C
InChIInChI=1S/C12H16N2/c1-4-11-6-5-8-13-12(11)14-9-7-10(2)3/h4-10H,1-3H3/b9-7-,11-4-,14-12-
InChIKeyLUKHBFFNPIQCGR-AAKYXNFRSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine?
The IUPAC name of (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine (CID 70306674) is (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine is C/C=C1/C=CC=N/C1=N\C=C/C(C)C.
What is the InChIKey of (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine?
The InChIKey is LUKHBFFNPIQCGR-AAKYXNFRSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-6-5-8-13-12(11)14-9-7-10(2)3/h4-10H,1-3H3/b9-7-,11-4-,14-12-.
What are the key properties of (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine?
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine has a molecular weight of 188.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine is sourced from PubChem (CID 70306674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).