N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide

C7H15N3 — CID 118973183

IUPACN'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
SMILESCCN/C=C(\C)C/N=C/N
InChIInChI=1S/C7H15N3/c1-3-9-4-7(2)5-10-6-8/h4,6,9H,3,5H2,1-2H3,(H2,8,10)/b7-4+
InChIKeyJIUADQNXNROZEL-QPJJXVBHSA-N
MW141.22 g/mol
LogP0.49
Rot. Bonds4

About N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide

N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide (PubChem CID 118973183) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
PubChem CID118973183
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
SMILESCCN/C=C(\C)C/N=C/N
InChIInChI=1S/C7H15N3/c1-3-9-4-7(2)5-10-6-8/h4,6,9H,3,5H2,1-2H3,(H2,8,10)/b7-4+
InChIKeyJIUADQNXNROZEL-QPJJXVBHSA-N
XLogP0.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.49
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)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide?
The IUPAC name of N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide (CID 118973183) is N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide is CCN/C=C(\C)C/N=C/N.
What is the InChIKey of N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide?
The InChIKey is JIUADQNXNROZEL-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-9-4-7(2)5-10-6-8/h4,6,9H,3,5H2,1-2H3,(H2,8,10)/b7-4+.
What are the key properties of N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide?
N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide is sourced from PubChem (CID 118973183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).