4-(3-tert-butyl-5-ethylphenyl)butanimidamide

C16H26N2 — CID 70646233

IUPAC4-(3-tert-butyl-5-ethylphenyl)butanimidamide
SMILES[H]/N=C(\N)CCCc1cc(CC)cc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2/c1-5-12-9-13(7-6-8-15(17)18)11-14(10-12)16(2,3)4/h9-11H,5-8H2,1-4H3,(H3,17,18)
InChIKeyABQRTYFYEPREGY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.81
Rot. Bonds5

About 4-(3-tert-butyl-5-ethylphenyl)butanimidamide

4-(3-tert-butyl-5-ethylphenyl)butanimidamide (PubChem CID 70646233) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-ethylphenyl)butanimidamide.

Molecular Properties

Compound Name4-(3-tert-butyl-5-ethylphenyl)butanimidamide
PubChem CID70646233
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(3-tert-butyl-5-ethylphenyl)butanimidamide
SMILES[H]/N=C(\N)CCCc1cc(CC)cc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2/c1-5-12-9-13(7-6-8-15(17)18)11-14(10-12)16(2,3)4/h9-11H,5-8H2,1-4H3,(H3,17,18)
InChIKeyABQRTYFYEPREGY-UHFFFAOYSA-N
XLogP3.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
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 4-(3-tert-butyl-5-ethylphenyl)butanimidamide?
The IUPAC name of 4-(3-tert-butyl-5-ethylphenyl)butanimidamide (CID 70646233) is 4-(3-tert-butyl-5-ethylphenyl)butanimidamide.
What is the SMILES notation for 4-(3-tert-butyl-5-ethylphenyl)butanimidamide?
The canonical SMILES for 4-(3-tert-butyl-5-ethylphenyl)butanimidamide is [H]/N=C(\N)CCCc1cc(CC)cc(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butyl-5-ethylphenyl)butanimidamide?
The InChIKey is ABQRTYFYEPREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-12-9-13(7-6-8-15(17)18)11-14(10-12)16(2,3)4/h9-11H,5-8H2,1-4H3,(H3,17,18).
What are the key properties of 4-(3-tert-butyl-5-ethylphenyl)butanimidamide?
4-(3-tert-butyl-5-ethylphenyl)butanimidamide has a molecular weight of 246.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-ethylphenyl)butanimidamide is sourced from PubChem (CID 70646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).