2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide

C9H19N3O — CID 166730048

IUPAC2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)CC(C)(C)C
InChIInChI=1S/C9H19N3O/c1-9(2,3)5-7(10)12-6-8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyIYVQHTJPVUJKMB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

About 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide

2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide (PubChem CID 166730048) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
PubChem CID166730048
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)CC(C)(C)C
InChIInChI=1S/C9H19N3O/c1-9(2,3)5-7(10)12-6-8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyIYVQHTJPVUJKMB-UHFFFAOYSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
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-[2-[(1-amino-2,2-dimethylpropylidene)amino]ethyl]acetamide
CID 58089968
N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
CID 148804257
2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide
CID 166729784
2-(1-aminobutylideneamino)-N-propylacetamide
CID 63175416
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide
CID 63175419
2-(1-aminobutylideneamino)-N,N-dimethylacetamide
CID 63175648
N-[2-(1-aminobutylideneamino)ethyl]acetamide
CID 63175724
2-(1-aminopropylideneamino)-N-methylacetamide
CID 63175769
2-(1-aminobutylideneamino)-N-methylacetamide
CID 63175770
2-[(1-amino-2-methylpropylidene)amino]-N-methylacetamide
CID 63175771
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylacetamide
CID 63175773
2-(1-aminobutylideneamino)-N-ethylacetamide
CID 63176040

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide?
The IUPAC name of 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide (CID 166730048) is 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide?
The canonical SMILES for 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide is CNC(=O)C/N=C(\N)CC(C)(C)C.
What is the InChIKey of 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide?
The InChIKey is IYVQHTJPVUJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)5-7(10)12-6-8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide?
2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide is sourced from PubChem (CID 166730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).