N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide

C9H18N2O — CID 142150051

IUPACN-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide
SMILESCCC(C)(C)/C(=N/C)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-6-9(3,4)8(10-5)11-7(2)12/h6H2,1-5H3,(H,10,11,12)
InChIKeyAXIUDCDIIQLRDA-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds2

About N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide

N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide (PubChem CID 142150051) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide
PubChem CID142150051
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide
SMILESCCC(C)(C)/C(=N/C)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-6-9(3,4)8(10-5)11-7(2)12/h6H2,1-5H3,(H,10,11,12)
InChIKeyAXIUDCDIIQLRDA-UHFFFAOYSA-N
XLogP1.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide?
The IUPAC name of N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide (CID 142150051) is N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide.
What is the SMILES notation for N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide?
The canonical SMILES for N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide is CCC(C)(C)/C(=N/C)NC(C)=O.
What is the InChIKey of N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide?
The InChIKey is AXIUDCDIIQLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-9(3,4)8(10-5)11-7(2)12/h6H2,1-5H3,(H,10,11,12).
What are the key properties of N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide?
N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide is sourced from PubChem (CID 142150051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).