2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide

C15H26N4O — CID 166801161

IUPAC2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)N/N=C/c1cnc[nH]1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-14(2,3)7-12(15(4,5)6)13(20)19-18-9-11-8-16-10-17-11/h8-10,12H,7H2,1-6H3,(H,16,17)(H,19,20)/b18-9+
InChIKeyAMFFBVYGLMTESM-GIJQJNRQSA-N
MW278.40 g/mol
LogP2.96
Rot. Bonds4

About 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide

2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide (PubChem CID 166801161) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide
PubChem CID166801161
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)N/N=C/c1cnc[nH]1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-14(2,3)7-12(15(4,5)6)13(20)19-18-9-11-8-16-10-17-11/h8-10,12H,7H2,1-6H3,(H,16,17)(H,19,20)/b18-9+
InChIKeyAMFFBVYGLMTESM-GIJQJNRQSA-N
XLogP2.96
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide (CID 166801161) is 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide is CC(C)(C)CC(C(=O)N/N=C/c1cnc[nH]1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide?
The InChIKey is AMFFBVYGLMTESM-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(2,3)7-12(15(4,5)6)13(20)19-18-9-11-8-16-10-17-11/h8-10,12H,7H2,1-6H3,(H,16,17)(H,19,20)/b18-9+.
What are the key properties of 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide?
2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(E)-1H-imidazol-5-ylmethylideneamino]-4,4-dimethylpentanamide is sourced from PubChem (CID 166801161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).