3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide

C12H23N3O2 — CID 175472051

IUPAC3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
SMILESC=C(C(N)=O)C(CC)N(C)C.C=C(C)C(N)=O
InChIInChI=1S/C8H16N2O.C4H7NO/c1-5-7(10(3)4)6(2)8(9)11;1-3(2)4(5)6/h7H,2,5H2,1,3-4H3,(H2,9,11);1H2,2H3,(H2,5,6)
InChIKeyVMNMTDJYHIXSGC-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.42
Rot. Bonds5

About 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide

3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide (PubChem CID 175472051) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
PubChem CID175472051
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
SMILESC=C(C(N)=O)C(CC)N(C)C.C=C(C)C(N)=O
InChIInChI=1S/C8H16N2O.C4H7NO/c1-5-7(10(3)4)6(2)8(9)11;1-3(2)4(5)6/h7H,2,5H2,1,3-4H3,(H2,9,11);1H2,2H3,(H2,5,6)
InChIKeyVMNMTDJYHIXSGC-UHFFFAOYSA-N
XLogP0.42
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-2-methylidenepentanamide;methyl hydrogen sulfite
CID 146301735
(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
CID 156761805
2-(dimethylamino)-4-methylpent-4-enamide
CID 13149597
2-methylprop-2-enamide;hydrate
CID 88749193
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl 2-(dimethylamino)butanoate
CID 14644900
4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
CID 173332823
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
2-carbamoylpent-1-en-3-yl(trimethyl)azanium
CID 18798178
[diacetyloxy(ethyl)silyl] acetate;2-methylprop-2-enamide
CID 174431894
(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
CID 156761797

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide?
The IUPAC name of 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide (CID 175472051) is 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide.
What is the SMILES notation for 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide?
The canonical SMILES for 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide is C=C(C(N)=O)C(CC)N(C)C.C=C(C)C(N)=O.
What is the InChIKey of 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide?
The InChIKey is VMNMTDJYHIXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C4H7NO/c1-5-7(10(3)4)6(2)8(9)11;1-3(2)4(5)6/h7H,2,5H2,1,3-4H3,(H2,9,11);1H2,2H3,(H2,5,6).
What are the key properties of 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide?
3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide is sourced from PubChem (CID 175472051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).