N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide

C8H17N3 — CID 90452795

IUPACN'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
SMILESCCN/C=C(\C)C(C)/N=C/N
InChIInChI=1S/C8H17N3/c1-4-10-5-7(2)8(3)11-6-9/h5-6,8,10H,4H2,1-3H3,(H2,9,11)/b7-5+
InChIKeyIYWMPAWPBLVTCG-FNORWQNLSA-N
MW155.25 g/mol
LogP0.88
Rot. Bonds4

About N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide

N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide (PubChem CID 90452795) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
PubChem CID90452795
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
SMILESCCN/C=C(\C)C(C)/N=C/N
InChIInChI=1S/C8H17N3/c1-4-10-5-7(2)8(3)11-6-9/h5-6,8,10H,4H2,1-3H3,(H2,9,11)/b7-5+
InChIKeyIYWMPAWPBLVTCG-FNORWQNLSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.88
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide?
The IUPAC name of N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide (CID 90452795) is N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide is CCN/C=C(\C)C(C)/N=C/N.
What is the InChIKey of N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide?
The InChIKey is IYWMPAWPBLVTCG-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-10-5-7(2)8(3)11-6-9/h5-6,8,10H,4H2,1-3H3,(H2,9,11)/b7-5+.
What are the key properties of N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide?
N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide is sourced from PubChem (CID 90452795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).