(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide

C9H19N3O — CID 89177285

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide
SMILESC=C[C@@H](NC)C(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O/c1-5-8(10-2)9(13)11-6-7-12(3)4/h5,8,10H,1,6-7H2,2-4H3,(H,11,13)/t8-/m1/s1
InChIKeyVHAQTSHTQMUOSK-MRVPVSSYSA-N
MW185.27 g/mol
LogP-0.56
Rot. Bonds6

About (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide

(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide (PubChem CID 89177285) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide
PubChem CID89177285
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide
SMILESC=C[C@@H](NC)C(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O/c1-5-8(10-2)9(13)11-6-7-12(3)4/h5,8,10H,1,6-7H2,2-4H3,(H,11,13)/t8-/m1/s1
InChIKeyVHAQTSHTQMUOSK-MRVPVSSYSA-N
XLogP-0.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide (CID 89177285) is (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide is C=C[C@@H](NC)C(=O)NCCN(C)C.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide?
The InChIKey is VHAQTSHTQMUOSK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5-8(10-2)9(13)11-6-7-12(3)4/h5,8,10H,1,6-7H2,2-4H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide?
(2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide has a molecular weight of 185.27 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-2-(methylamino)but-3-enamide is sourced from PubChem (CID 89177285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).