N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide

C11H14N2 — CID 166766256

IUPACN'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide
SMILESC=C/C=C(C=C)\C(=C/C)\N=C\N=C
InChIInChI=1S/C11H14N2/c1-5-8-10(6-2)11(7-3)13-9-12-4/h5-9H,1-2,4H2,3H3/b10-8-,11-7+,13-9+
InChIKeyGNDNBYXMBGJVNR-VZKFLKLSSA-N
MW174.25 g/mol
LogP2.92
Rot. Bonds5

About N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide

N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide (PubChem CID 166766256) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide
PubChem CID166766256
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide
SMILESC=C/C=C(C=C)\C(=C/C)\N=C\N=C
InChIInChI=1S/C11H14N2/c1-5-8-10(6-2)11(7-3)13-9-12-4/h5-9H,1-2,4H2,3H3/b10-8-,11-7+,13-9+
InChIKeyGNDNBYXMBGJVNR-VZKFLKLSSA-N
XLogP2.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide (CID 166766256) is N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide is C=C/C=C(C=C)\C(=C/C)\N=C\N=C.
What is the InChIKey of N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide?
The InChIKey is GNDNBYXMBGJVNR-VZKFLKLSSA-N. The full InChI is InChI=1S/C11H14N2/c1-5-8-10(6-2)11(7-3)13-9-12-4/h5-9H,1-2,4H2,3H3/b10-8-,11-7+,13-9+.
What are the key properties of N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide?
N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide has a molecular weight of 174.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 166766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).