N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide

C8H12N2 — CID 139419329

IUPACN-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
SMILES[H]/N=C/N(C=C)/C=C\C=C/C
InChIInChI=1S/C8H12N2/c1-3-5-6-7-10(4-2)8-9/h3-9H,2H2,1H3/b5-3-,7-6-,9-8+
InChIKeyWXLVIJWKNXFYRF-BBMAVBMISA-N
MW136.20 g/mol
LogP2.13
Rot. Bonds4

About N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide

N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide (PubChem CID 139419329) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
PubChem CID139419329
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
SMILES[H]/N=C/N(C=C)/C=C\C=C/C
InChIInChI=1S/C8H12N2/c1-3-5-6-7-10(4-2)8-9/h3-9H,2H2,1H3/b5-3-,7-6-,9-8+
InChIKeyWXLVIJWKNXFYRF-BBMAVBMISA-N
XLogP2.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.13
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-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The IUPAC name of N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide (CID 139419329) is N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The canonical SMILES for N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide is [H]/N=C/N(C=C)/C=C\C=C/C.
What is the InChIKey of N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
The InChIKey is WXLVIJWKNXFYRF-BBMAVBMISA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-6-7-10(4-2)8-9/h3-9H,2H2,1H3/b5-3-,7-6-,9-8+.
What are the key properties of N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide?
N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 139419329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).