2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide

C14H31N3O — CID 159082093

IUPAC2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)C(C)C.CC(C)NC(=O)C(C)C
InChIInChI=1S/C7H16N2.C7H15NO/c1-5(2)7(8)9-6(3)4;1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H2,8,9);5-6H,1-4H3,(H,8,9)
InChIKeyKAZGQUJGEYCPJH-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide

2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide (PubChem CID 159082093) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide
PubChem CID159082093
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)C(C)C.CC(C)NC(=O)C(C)C
InChIInChI=1S/C7H16N2.C7H15NO/c1-5(2)7(8)9-6(3)4;1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H2,8,9);5-6H,1-4H3,(H,8,9)
InChIKeyKAZGQUJGEYCPJH-UHFFFAOYSA-N
XLogP2.58
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
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

N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 53916049
N-[2-(3-ethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-2-methylpropanamide
CID 117780109
2-methyl-N-[2-(3-methyl-2-propan-2-yl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]propanamide
CID 117780393
N-[3-[(1-amino-3-methylbutylidene)amino]propyl]-2-methylbutanamide
CID 122598424
N-[5-(1-aminoethylideneamino)pentan-2-yl]-2-methylpropanamide
CID 123687578
N-[(2S)-1-amino-1-ethylimino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
CID 134421183
N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide
CID 134570687
N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-3-methylbutanamide
CID 134570827
N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 142901498
N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
CID 148804257
N,2-dimethyl-N-propan-2-ylpropanamide;N,2-dimethyl-N-propan-2-ylpropanimidamide;N',2-dimethyl-N-propan-2-ylpropanimidamide
CID 157972385
N'-methylpropanimidamide;N,2,2-trimethylpropanamide
CID 159369592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide?
The IUPAC name of 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide (CID 159082093) is 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide?
The canonical SMILES for 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide is CC(C)/N=C(\N)C(C)C.CC(C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide?
The InChIKey is KAZGQUJGEYCPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C7H15NO/c1-5(2)7(8)9-6(3)4;1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H2,8,9);5-6H,1-4H3,(H,8,9).
What are the key properties of 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide?
2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide has a molecular weight of 257.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylpropanamide;2-methyl-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 159082093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).