N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide

C11H23N3O — CID 87688928

IUPACN-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)N/N=C/CN
InChIInChI=1S/C11H23N3O/c1-10(2,3)8-11(4,5)9(15)14-13-7-6-12/h7H,6,8,12H2,1-5H3,(H,14,15)/b13-7+
InChIKeyQSVJWEAYYXSLEO-NTUHNPAUSA-N
MW213.32 g/mol
LogP1.51
Rot. Bonds4

About N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide

N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide (PubChem CID 87688928) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide
PubChem CID87688928
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)N/N=C/CN
InChIInChI=1S/C11H23N3O/c1-10(2,3)8-11(4,5)9(15)14-13-7-6-12/h7H,6,8,12H2,1-5H3,(H,14,15)/b13-7+
InChIKeyQSVJWEAYYXSLEO-NTUHNPAUSA-N
XLogP1.51
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.51
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 N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide (CID 87688928) is N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide is CC(C)(C)CC(C)(C)C(=O)N/N=C/CN.
What is the InChIKey of N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide?
The InChIKey is QSVJWEAYYXSLEO-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2,3)8-11(4,5)9(15)14-13-7-6-12/h7H,6,8,12H2,1-5H3,(H,14,15)/b13-7+.
What are the key properties of N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide?
N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoethylideneamino]-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 87688928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).