N'-(3-methylbut-2-en-2-yl)butanimidamide

C9H18N2 — CID 145418069

IUPACN'-(3-methylbut-2-en-2-yl)butanimidamide
SMILESCCC/C(N)=N\C(C)=C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(10)11-8(4)7(2)3/h5-6H2,1-4H3,(H2,10,11)
InChIKeyGBXXKODJSPFGBP-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.46
Rot. Bonds3

About N'-(3-methylbut-2-en-2-yl)butanimidamide

N'-(3-methylbut-2-en-2-yl)butanimidamide (PubChem CID 145418069) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(3-methylbut-2-en-2-yl)butanimidamide.

Molecular Properties

Compound NameN'-(3-methylbut-2-en-2-yl)butanimidamide
PubChem CID145418069
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(3-methylbut-2-en-2-yl)butanimidamide
SMILESCCC/C(N)=N\C(C)=C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(10)11-8(4)7(2)3/h5-6H2,1-4H3,(H2,10,11)
InChIKeyGBXXKODJSPFGBP-UHFFFAOYSA-N
XLogP2.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.46
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 N'-(3-methylbut-2-en-2-yl)butanimidamide?
The IUPAC name of N'-(3-methylbut-2-en-2-yl)butanimidamide (CID 145418069) is N'-(3-methylbut-2-en-2-yl)butanimidamide.
What is the SMILES notation for N'-(3-methylbut-2-en-2-yl)butanimidamide?
The canonical SMILES for N'-(3-methylbut-2-en-2-yl)butanimidamide is CCC/C(N)=N\C(C)=C(C)C.
What is the InChIKey of N'-(3-methylbut-2-en-2-yl)butanimidamide?
The InChIKey is GBXXKODJSPFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(10)11-8(4)7(2)3/h5-6H2,1-4H3,(H2,10,11).
What are the key properties of N'-(3-methylbut-2-en-2-yl)butanimidamide?
N'-(3-methylbut-2-en-2-yl)butanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-en-2-yl)butanimidamide is sourced from PubChem (CID 145418069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).