2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide

C9H16N2 — CID 123833939

IUPAC2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(C)C(=C)C
InChIInChI=1S/C9H16N2/c1-6(2)8(5)11-9(10)7(3)4/h8H,1,3H2,2,4-5H3,(H2,10,11)
InChIKeyIRPLOXYQWHSPQY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide

2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide (PubChem CID 123833939) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
PubChem CID123833939
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(C)C(=C)C
InChIInChI=1S/C9H16N2/c1-6(2)8(5)11-9(10)7(3)4/h8H,1,3H2,2,4-5H3,(H2,10,11)
InChIKeyIRPLOXYQWHSPQY-UHFFFAOYSA-N
XLogP1.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.88
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The IUPAC name of 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide (CID 123833939) is 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide.
What is the SMILES notation for 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The canonical SMILES for 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide is C=C(C)/C(N)=N\C(C)C(=C)C.
What is the InChIKey of 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
The InChIKey is IRPLOXYQWHSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8(5)11-9(10)7(3)4/h8H,1,3H2,2,4-5H3,(H2,10,11).
What are the key properties of 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide?
2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-methylbut-3-en-2-yl)prop-2-enimidamide is sourced from PubChem (CID 123833939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).