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

C11H24N2 — CID 145418068

IUPACethane;N'-(3-methylbut-2-en-2-yl)butanimidamide
SMILESCC.CCC/C(N)=N\C(C)=C(C)C
InChIInChI=1S/C9H18N2.C2H6/c1-5-6-9(10)11-8(4)7(2)3;1-2/h5-6H2,1-4H3,(H2,10,11);1-2H3
InChIKeyXXPYJWAEKZAWFV-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.48
Rot. Bonds3

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

ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide (PubChem CID 145418068) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide.

Molecular Properties

Compound Nameethane;N'-(3-methylbut-2-en-2-yl)butanimidamide
PubChem CID145418068
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N'-(3-methylbut-2-en-2-yl)butanimidamide
SMILESCC.CCC/C(N)=N\C(C)=C(C)C
InChIInChI=1S/C9H18N2.C2H6/c1-5-6-9(10)11-8(4)7(2)3;1-2/h5-6H2,1-4H3,(H2,10,11);1-2H3
InChIKeyXXPYJWAEKZAWFV-UHFFFAOYSA-N
XLogP3.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.48
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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Related Compounds

2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide
CID 123441225
N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123584294
N'-[(E)-3-cyanobut-2-en-2-yl]propanimidamide
CID 145473984
N'-(4-methylpenta-1,3-dien-3-yl)butanimidamide
CID 156241392
N'-(2-methylpent-2-en-3-yl)ethanimidamide
CID 163623333
N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
CID 163921879
3-amino-N'-tert-butyl-2-methylbut-2-enimidamide
CID 173833068
N'-(3-methylbut-2-en-2-yl)butanimidamide
CID 145418069

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide?
The IUPAC name of ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide (CID 145418068) is ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide.
What is the SMILES notation for ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide?
The canonical SMILES for ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide is CC.CCC/C(N)=N\C(C)=C(C)C.
What is the InChIKey of ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide?
The InChIKey is XXPYJWAEKZAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-5-6-9(10)11-8(4)7(2)3;1-2/h5-6H2,1-4H3,(H2,10,11);1-2H3.
What are the key properties of ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide?
ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide is sourced from PubChem (CID 145418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).