N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide

C14H31N3O — CID 159292329

IUPACN'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(\N)C(C)(C)C.CC(C)(C)C(N)=O
InChIInChI=1S/C9H20N2.C5H11NO/c1-8(2,3)7(10)11-9(4,5)6;1-5(2,3)4(6)7/h1-6H3,(H2,10,11);1-3H3,(H2,6,7)
InChIKeyLAGYUVHAEFBMBJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.71
Rot. Bonds

About N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide

N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide (PubChem CID 159292329) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide.

Molecular Properties

Compound NameN'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide
PubChem CID159292329
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(\N)C(C)(C)C.CC(C)(C)C(N)=O
InChIInChI=1S/C9H20N2.C5H11NO/c1-8(2,3)7(10)11-9(4,5)6;1-5(2,3)4(6)7/h1-6H3,(H2,10,11);1-3H3,(H2,6,7)
InChIKeyLAGYUVHAEFBMBJ-UHFFFAOYSA-N
XLogP2.71
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.71
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-Imino-2,2-dimethylpropyl)-2,2-dimethylpropanamide
CID 14736981
N-(1-amino-2,2-dimethylpropylidene)acetamide
CID 20577895
N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide
CID 88860402
N-(1-aminoethylidene)propanamide;azane;ethane;2-methylpropan-2-amine;molecular hydrogen
CID 144245309
N-(1-aminopropylidene)-2-methylpropanamide;ethane
CID 167447070
2-(1-Aminobutylideneamino)-2-methylpropanamide
CID 63178131
2-[(1-Amino-2-methylpropylidene)amino]-2-methylpropanamide
CID 63178189
2-[(1-Amino-2,2-dimethylpropylidene)amino]-2-methylpropanamide
CID 63178191
3-[(1-Amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide
CID 106098551
3-[(1-Amino-2,2-dimethylpropylidene)amino]-2,2-dimethylpropanamide
CID 106280327
N-(1-amino-2-methylpropylidene)-2-methylpropanamide
CID 129203532
N-(1-amino-2,2-dimethylpropylidene)butanamide
CID 130627742

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide?
The IUPAC name of N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide (CID 159292329) is N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide.
What is the SMILES notation for N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide?
The canonical SMILES for N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide is CC(C)(C)/N=C(\N)C(C)(C)C.CC(C)(C)C(N)=O.
What is the InChIKey of N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide?
The InChIKey is LAGYUVHAEFBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C5H11NO/c1-8(2,3)7(10)11-9(4,5)6;1-5(2,3)4(6)7/h1-6H3,(H2,10,11);1-3H3,(H2,6,7).
What are the key properties of N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide?
N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,2-dimethylpropanimidamide;2,2-dimethylpropanamide is sourced from PubChem (CID 159292329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).