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

C11H23N3O — CID 89291325

IUPAC(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide
SMILESC=C[C@H](C(=O)N(C)CCN(C)C)N(C)C
InChIInChI=1S/C11H23N3O/c1-7-10(13(4)5)11(15)14(6)9-8-12(2)3/h7,10H,1,8-9H2,2-6H3/t10-/m1/s1
InChIKeyXJZTZQHQZRDECC-SNVBAGLBSA-N
MW213.32 g/mol
LogP0.12
Rot. Bonds6

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

(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide (PubChem CID 89291325) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide
PubChem CID89291325
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide
SMILESC=C[C@H](C(=O)N(C)CCN(C)C)N(C)C
InChIInChI=1S/C11H23N3O/c1-7-10(13(4)5)11(15)14(6)9-8-12(2)3/h7,10H,1,8-9H2,2-6H3/t10-/m1/s1
InChIKeyXJZTZQHQZRDECC-SNVBAGLBSA-N
XLogP0.12
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.12
H-Bond Donors ≤ 50
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)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide (CID 89291325) is (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide is C=C[C@H](C(=O)N(C)CCN(C)C)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide?
The InChIKey is XJZTZQHQZRDECC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O/c1-7-10(13(4)5)11(15)14(6)9-8-12(2)3/h7,10H,1,8-9H2,2-6H3/t10-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide?
(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide is sourced from PubChem (CID 89291325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).