N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide

C9H15N3 — CID 139306233

IUPACN-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide
SMILESC=CC(=C)/N=C(\C)N/C(C)=C/N
InChIInChI=1S/C9H15N3/c1-5-7(2)11-9(4)12-8(3)6-10/h5-6H,1-2,10H2,3-4H3,(H,11,12)/b8-6+
InChIKeyUOHCQWXVKHPKGT-SOFGYWHQSA-N
MW165.24 g/mol
LogP1.51
Rot. Bonds3

About N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide

N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide (PubChem CID 139306233) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide.

Molecular Properties

Compound NameN-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide
PubChem CID139306233
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide
SMILESC=CC(=C)/N=C(\C)N/C(C)=C/N
InChIInChI=1S/C9H15N3/c1-5-7(2)11-9(4)12-8(3)6-10/h5-6H,1-2,10H2,3-4H3,(H,11,12)/b8-6+
InChIKeyUOHCQWXVKHPKGT-SOFGYWHQSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide 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-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide?
The IUPAC name of N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide (CID 139306233) is N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide.
What is the SMILES notation for N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide?
The canonical SMILES for N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide is C=CC(=C)/N=C(\C)N/C(C)=C/N.
What is the InChIKey of N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide?
The InChIKey is UOHCQWXVKHPKGT-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-7(2)11-9(4)12-8(3)6-10/h5-6H,1-2,10H2,3-4H3,(H,11,12)/b8-6+.
What are the key properties of N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide?
N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-aminoprop-1-en-2-yl]-N'-buta-1,3-dien-2-ylethanimidamide is sourced from PubChem (CID 139306233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).