N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide

C8H14N2 — CID 144804624

IUPACN-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C/C(C)C
InChIInChI=1S/C8H14N2/c1-4-9-7-10-6-5-8(2)3/h4-8H,1-3H3/b6-5+,9-4+,10-7+
InChIKeyQRCAGLNJGSHAGI-SIZPBZAJSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds3

About N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide

N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide (PubChem CID 144804624) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide
PubChem CID144804624
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C/C(C)C
InChIInChI=1S/C8H14N2/c1-4-9-7-10-6-5-8(2)3/h4-8H,1-3H3/b6-5+,9-4+,10-7+
InChIKeyQRCAGLNJGSHAGI-SIZPBZAJSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
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'}

Analyze N-ethylidene-N'-[(E)-3-methylbut-1-enyl]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'-[(E)-3-methylbut-1-enyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide (CID 144804624) is N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide is C/C=N/C=N/C=C/C(C)C.
What is the InChIKey of N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide?
The InChIKey is QRCAGLNJGSHAGI-SIZPBZAJSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-9-7-10-6-5-8(2)3/h4-8H,1-3H3/b6-5+,9-4+,10-7+.
What are the key properties of N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide?
N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide is sourced from PubChem (CID 144804624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).