3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide

C9H19N3O — CID 106280324

IUPAC3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
SMILESCC(C)/C(N)=N\CC(C)(C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-6(2)7(10)12-5-9(3,4)8(11)13/h6H,5H2,1-4H3,(H2,10,12)(H2,11,13)
InChIKeyBHKPRMXCHCBPLR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.51
Rot. Bonds4

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

3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide (PubChem CID 106280324) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
PubChem CID106280324
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
SMILESCC(C)/C(N)=N\CC(C)(C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-6(2)7(10)12-5-9(3,4)8(11)13/h6H,5H2,1-4H3,(H2,10,12)(H2,11,13)
InChIKeyBHKPRMXCHCBPLR-UHFFFAOYSA-N
XLogP0.51
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.51
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

3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110920182
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide
CID 111072590
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
CID 54095971
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111318000
2,2,4-trimethylhexanamide
CID 173326530

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide (CID 106280324) is 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide is CC(C)/C(N)=N\CC(C)(C)C(N)=O.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide?
The InChIKey is BHKPRMXCHCBPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)7(10)12-5-9(3,4)8(11)13/h6H,5H2,1-4H3,(H2,10,12)(H2,11,13).
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide?
3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).