3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide

C10H21N3O — CID 63176346

IUPAC3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-10(2,3)9(11)12-7-6-8(14)13(4)5/h6-7H2,1-5H3,(H2,11,12)
InChIKeyQLGBXOZVUKRYNT-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds3

About 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide

3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide (PubChem CID 63176346) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide
PubChem CID63176346
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-10(2,3)9(11)12-7-6-8(14)13(4)5/h6-7H2,1-5H3,(H2,11,12)
InChIKeyQLGBXOZVUKRYNT-UHFFFAOYSA-N
XLogP0.87
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide (CID 63176346) is 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CC/N=C(\N)C(C)(C)C.
What is the InChIKey of 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide?
The InChIKey is QLGBXOZVUKRYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)9(11)12-7-6-8(14)13(4)5/h6-7H2,1-5H3,(H2,11,12).
What are the key properties of 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide?
3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide has a molecular weight of 199.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63176346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).