2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide

C9H19N3O — CID 63175712

IUPAC2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-9(2,3)8(10)11-6-7(13)12(4)5/h6H2,1-5H3,(H2,10,11)
InChIKeyKBTVCAPLALXYGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds2

About 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide

2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide (PubChem CID 63175712) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide
PubChem CID63175712
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-9(2,3)8(10)11-6-7(13)12(4)5/h6H2,1-5H3,(H2,10,11)
InChIKeyKBTVCAPLALXYGT-UHFFFAOYSA-N
XLogP0.48
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
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 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide (CID 63175712) is 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\N)C(C)(C)C.
What is the InChIKey of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide?
The InChIKey is KBTVCAPLALXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)8(10)11-6-7(13)12(4)5/h6H2,1-5H3,(H2,10,11).
What are the key properties of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide?
2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide has a molecular weight of 185.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63175712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).