N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide

C9H14N2 — CID 155140053

IUPACN'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
SMILESC=C/C(=C\N=C\N=C\C)CC
InChIInChI=1S/C9H14N2/c1-4-9(5-2)7-11-8-10-6-3/h4,6-8H,1,5H2,2-3H3/b9-7+,10-6+,11-8+
InChIKeyWTKJCALHQPFLMI-OFVXYYGZSA-N
MW150.22 g/mol
LogP2.59
Rot. Bonds4

About N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide

N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide (PubChem CID 155140053) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
PubChem CID155140053
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
SMILESC=C/C(=C\N=C\N=C\C)CC
InChIInChI=1S/C9H14N2/c1-4-9(5-2)7-11-8-10-6-3/h4,6-8H,1,5H2,2-3H3/b9-7+,10-6+,11-8+
InChIKeyWTKJCALHQPFLMI-OFVXYYGZSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.59
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'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The IUPAC name of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide (CID 155140053) is N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The canonical SMILES for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide is C=C/C(=C\N=C\N=C\C)CC.
What is the InChIKey of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The InChIKey is WTKJCALHQPFLMI-OFVXYYGZSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(5-2)7-11-8-10-6-3/h4,6-8H,1,5H2,2-3H3/b9-7+,10-6+,11-8+.
What are the key properties of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-N-ethylidenemethanimidamide is sourced from PubChem (CID 155140053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).