N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide

C12H18N2 — CID 176532679

IUPACN'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide
SMILESC=C=C/C=C\N=C(/CCC)NC(=C)C
InChIInChI=1S/C12H18N2/c1-5-7-8-10-13-12(9-6-2)14-11(3)4/h7-8,10H,1,3,6,9H2,2,4H3,(H,13,14)/b10-8-
InChIKeyDNZBRWRIXPVKFX-NTMALXAHSA-N
MW190.29 g/mol
LogP3.16
Rot. Bonds5

About N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide

N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide (PubChem CID 176532679) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide
PubChem CID176532679
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide
SMILESC=C=C/C=C\N=C(/CCC)NC(=C)C
InChIInChI=1S/C12H18N2/c1-5-7-8-10-13-12(9-6-2)14-11(3)4/h7-8,10H,1,3,6,9H2,2,4H3,(H,13,14)/b10-8-
InChIKeyDNZBRWRIXPVKFX-NTMALXAHSA-N
XLogP3.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
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'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide?
The IUPAC name of N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide (CID 176532679) is N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide.
What is the SMILES notation for N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide?
The canonical SMILES for N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide is C=C=C/C=C\N=C(/CCC)NC(=C)C.
What is the InChIKey of N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide?
The InChIKey is DNZBRWRIXPVKFX-NTMALXAHSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-8-10-13-12(9-6-2)14-11(3)4/h7-8,10H,1,3,6,9H2,2,4H3,(H,13,14)/b10-8-.
What are the key properties of N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide?
N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide has a molecular weight of 190.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-penta-1,3,4-trienyl]-N-prop-1-en-2-ylbutanimidamide is sourced from PubChem (CID 176532679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).