(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine

C12H16N2 — CID 89088417

IUPAC(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
SMILESC=C/C=N/C=C(C)/C(C=C)=N/C=C\C
InChIInChI=1S/C12H16N2/c1-5-8-13-10-11(4)12(7-3)14-9-6-2/h5-10H,1,3H2,2,4H3/b9-6-,11-10+,13-8+,14-12+
InChIKeyAJZXYAJXJBXEEE-SWNFJYMQSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds5

About (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine

(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine (PubChem CID 89088417) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine.

Molecular Properties

Compound Name(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
PubChem CID89088417
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
SMILESC=C/C=N/C=C(C)/C(C=C)=N/C=C\C
InChIInChI=1S/C12H16N2/c1-5-8-13-10-11(4)12(7-3)14-9-6-2/h5-10H,1,3H2,2,4H3/b9-6-,11-10+,13-8+,14-12+
InChIKeyAJZXYAJXJBXEEE-SWNFJYMQSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313
3-methyl-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 89188301
(Z)-1-[(4-methylidene-3-pyridinylidene)amino]prop-1-en-2-amine
CID 89217042

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine?
The IUPAC name of (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine (CID 89088417) is (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine.
What is the SMILES notation for (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine?
The canonical SMILES for (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine is C=C/C=N/C=C(C)/C(C=C)=N/C=C\C.
What is the InChIKey of (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine?
The InChIKey is AJZXYAJXJBXEEE-SWNFJYMQSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-8-13-10-11(4)12(7-3)14-9-6-2/h5-10H,1,3H2,2,4H3/b9-6-,11-10+,13-8+,14-12+.
What are the key properties of (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine?
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine has a molecular weight of 188.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine is sourced from PubChem (CID 89088417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).