2,2-dimethyl-3-methyliminopropanamide

C6H12N2O — CID 123908359

IUPAC2,2-dimethyl-3-methyliminopropanamide
SMILESC/N=C/C(C)(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-6(2,4-8-3)5(7)9/h4H,1-3H3,(H2,7,9)/b8-4+
InChIKeyQYOYNDRLJMGAMX-XBXARRHUSA-N
MW128.17 g/mol
LogP0.20
Rot. Bonds2

About 2,2-dimethyl-3-methyliminopropanamide

2,2-dimethyl-3-methyliminopropanamide (PubChem CID 123908359) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-methyliminopropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-methyliminopropanamide
PubChem CID123908359
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2,2-dimethyl-3-methyliminopropanamide
SMILESC/N=C/C(C)(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-6(2,4-8-3)5(7)9/h4H,1-3H3,(H2,7,9)/b8-4+
InChIKeyQYOYNDRLJMGAMX-XBXARRHUSA-N
XLogP0.20
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,5-trimethylhexa-3,4-dienamide
CID 13070339
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882
methanetetracarboxamide
CID 87547104
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
cyclopentane;2,2-dimethylpropanamide
CID 90008477
cyclobutane;2,2-dimethylpropanamide
CID 145147245
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
2-(methyliminomethylamino)acetamide
CID 143453568
dimethyl 2-(2,2-dimethyl-3-methyliminopropylidene)propanedioate
CID 10443728
3-amino-2-[(1-amino-2-carboxy-1-oxopropan-2-yl)diazenyl]-2-methyl-3-oxopropanoic acid
CID 90752878
(E)-6-iodo-2,2-dimethylhex-5-enamide
CID 102385891

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methyliminopropanamide?
The IUPAC name of 2,2-dimethyl-3-methyliminopropanamide (CID 123908359) is 2,2-dimethyl-3-methyliminopropanamide.
What is the SMILES notation for 2,2-dimethyl-3-methyliminopropanamide?
The canonical SMILES for 2,2-dimethyl-3-methyliminopropanamide is C/N=C/C(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-methyliminopropanamide?
The InChIKey is QYOYNDRLJMGAMX-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2,4-8-3)5(7)9/h4H,1-3H3,(H2,7,9)/b8-4+.
What are the key properties of 2,2-dimethyl-3-methyliminopropanamide?
2,2-dimethyl-3-methyliminopropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methyliminopropanamide is sourced from PubChem (CID 123908359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).