N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide

C11H18N2 — CID 166740263

IUPACN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(C)\N=C\C)C(C)C
InChIInChI=1S/C11H18N2/c1-6-11(9(3)4)8-13-10(5)12-7-2/h6-9H,1H2,2-5H3/b11-8+,12-7+,13-10+
InChIKeyGJALOKYQMDCTIQ-MTYFOECISA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds3

About N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide

N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide (PubChem CID 166740263) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide
PubChem CID166740263
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(C)\N=C\C)C(C)C
InChIInChI=1S/C11H18N2/c1-6-11(9(3)4)8-13-10(5)12-7-2/h6-9H,1H2,2-5H3/b11-8+,12-7+,13-10+
InChIKeyGJALOKYQMDCTIQ-MTYFOECISA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
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-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide (CID 166740263) is N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(C)\N=C\C)C(C)C.
What is the InChIKey of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is GJALOKYQMDCTIQ-MTYFOECISA-N. The full InChI is InChI=1S/C11H18N2/c1-6-11(9(3)4)8-13-10(5)12-7-2/h6-9H,1H2,2-5H3/b11-8+,12-7+,13-10+.
What are the key properties of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide?
N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 166740263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).