N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide

C10H18N2 — CID 130254099

IUPACN'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-9(10(3,4)5)7-12-8(2)11/h6-7H,1H2,2-5H3,(H2,11,12)/b9-7+
InChIKeyDKACJJLWYGRLTL-VQHVLOKHSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds2

About N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide

N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide (PubChem CID 130254099) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide
PubChem CID130254099
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-9(10(3,4)5)7-12-8(2)11/h6-7H,1H2,2-5H3,(H2,11,12)/b9-7+
InChIKeyDKACJJLWYGRLTL-VQHVLOKHSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide (CID 130254099) is N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(/C)N)C(C)(C)C.
What is the InChIKey of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is DKACJJLWYGRLTL-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(10(3,4)5)7-12-8(2)11/h6-7H,1H2,2-5H3,(H2,11,12)/b9-7+.
What are the key properties of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide?
N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 130254099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).