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

C10H16N2 — CID 129119754

IUPACN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(=C\N=C\N=C\C)C(C)C
InChIInChI=1S/C10H16N2/c1-5-10(9(3)4)7-12-8-11-6-2/h5-9H,1H2,2-4H3/b10-7+,11-6+,12-8+
InChIKeyCSSUXZYDUOYZKZ-PHIPYRSFSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds4

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

N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide (PubChem CID 129119754) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide
PubChem CID129119754
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(=C\N=C\N=C\C)C(C)C
InChIInChI=1S/C10H16N2/c1-5-10(9(3)4)7-12-8-11-6-2/h5-9H,1H2,2-4H3/b10-7+,11-6+,12-8+
InChIKeyCSSUXZYDUOYZKZ-PHIPYRSFSA-N
XLogP2.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
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'}

Analyze N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide (CID 129119754) is N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide is C=C/C(=C\N=C\N=C\C)C(C)C.
What is the InChIKey of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide?
The InChIKey is CSSUXZYDUOYZKZ-PHIPYRSFSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10(9(3)4)7-12-8-11-6-2/h5-9H,1H2,2-4H3/b10-7+,11-6+,12-8+.
What are the key properties of N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide?
N-ethylidene-N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.83, 4 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]methanimidamide is sourced from PubChem (CID 129119754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).