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

C9H19N3O — CID 63178170

IUPAC2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-6(7(13)11-5)12-8(10)9(2,3)4/h6H,1-5H3,(H2,10,12)(H,11,13)
InChIKeyPJCBACNTXVGZHR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.52
Rot. Bonds2

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

2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide (PubChem CID 63178170) 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-methylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide
PubChem CID63178170
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-6(7(13)11-5)12-8(10)9(2,3)4/h6H,1-5H3,(H2,10,12)(H,11,13)
InChIKeyPJCBACNTXVGZHR-UHFFFAOYSA-N
XLogP0.52
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.52
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

(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
CID 18602647
(S)-2-[(2,2-Dimethylpropylidene)amino]-N-methylpropanamide
CID 23324287
N-[2-[(1-amino-2,2-dimethylpropylidene)amino]ethyl]acetamide
CID 58089968
2-(1-aminoethylideneamino)-N-methylpropanamide
CID 63173573
N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
CID 90245733
N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
CID 123259599
2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
CID 129093703
N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 142901498
N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
CID 148804257
N'-methylpropanimidamide;N,2,2-trimethylpropanamide
CID 159369592
N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide
CID 168788004
(2Z)-2-Amino-N-(propan-2-yl)-2-[(propan-2-yl)imino]acetamide
CID 13205874

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide?
The IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide (CID 63178170) is 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide is CNC(=O)C(C)/N=C(\N)C(C)(C)C.
What is the InChIKey of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide?
The InChIKey is PJCBACNTXVGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(7(13)11-5)12-8(10)9(2,3)4/h6H,1-5H3,(H2,10,12)(H,11,13).
What are the key properties of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide?
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 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-methylpropanamide is sourced from PubChem (CID 63178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).