2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide

C9H16N2 — CID 123317541

IUPAC2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide
SMILESC=C(CC)/C(N)=N/C=C(C)C
InChIInChI=1S/C9H16N2/c1-5-8(4)9(10)11-6-7(2)3/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyYGANOGXHEROHJD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide

2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide (PubChem CID 123317541) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide.

Molecular Properties

Compound Name2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide
PubChem CID123317541
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide
SMILESC=C(CC)/C(N)=N/C=C(C)C
InChIInChI=1S/C9H16N2/c1-5-8(4)9(10)11-6-7(2)3/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyYGANOGXHEROHJD-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide?
The IUPAC name of 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide (CID 123317541) is 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide.
What is the SMILES notation for 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide?
The canonical SMILES for 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide is C=C(CC)/C(N)=N/C=C(C)C.
What is the InChIKey of 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide?
The InChIKey is YGANOGXHEROHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8(4)9(10)11-6-7(2)3/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide?
2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N'-(2-methylprop-1-enyl)butanimidamide is sourced from PubChem (CID 123317541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).