N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide

C13H26N2O — CID 126758868

IUPACN-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)N/C(=N\C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-7-8-9-10(2)11(16)15-12(14-6)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,15,16)
InChIKeyAFLAJROQRUVCBU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.00
Rot. Bonds4

About N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide

N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide (PubChem CID 126758868) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide.

Molecular Properties

Compound NameN-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide
PubChem CID126758868
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)N/C(=N\C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-7-8-9-10(2)11(16)15-12(14-6)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,15,16)
InChIKeyAFLAJROQRUVCBU-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-[C-(2-methylpentan-2-yl)-N-propan-2-ylcarbonimidoyl]butanamide
CID 134389667
5-Methylimino-3-propylpyrrolidin-2-one
CID 137167702
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
2-ethyl-N-(2-methylpropanimidoyl)hexanamide
CID 173208729
N-(C-tert-butyl-N-cyclohexylcarbonimidoyl)-2-methylpentanamide
CID 101183573

Frequently Asked Questions

What is the IUPAC name of N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide?
The IUPAC name of N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide (CID 126758868) is N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide.
What is the SMILES notation for N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide?
The canonical SMILES for N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide is CCCCC(C)C(=O)N/C(=N\C)C(C)(C)C.
What is the InChIKey of N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide?
The InChIKey is AFLAJROQRUVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-8-9-10(2)11(16)15-12(14-6)13(3,4)5/h10H,7-9H2,1-6H3,(H,14,15,16).
What are the key properties of N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide?
N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide is sourced from PubChem (CID 126758868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).