3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide

C10H20N2O — CID 91309976

IUPAC3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide
SMILESCN(C)C=CC(=O)NCC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-10(2,3)8-11-9(13)6-7-12(4)5/h6-7H,8H2,1-5H3,(H,11,13)
InChIKeyBNEONPWVCVGOJF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.22
Rot. Bonds3

About 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide

3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide (PubChem CID 91309976) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide
PubChem CID91309976
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide
SMILESCN(C)C=CC(=O)NCC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-10(2,3)8-11-9(13)6-7-12(4)5/h6-7H,8H2,1-5H3,(H,11,13)
InChIKeyBNEONPWVCVGOJF-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide?
The IUPAC name of 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide (CID 91309976) is 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide?
The canonical SMILES for 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide is CN(C)C=CC(=O)NCC(C)(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide?
The InChIKey is BNEONPWVCVGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)8-11-9(13)6-7-12(4)5/h6-7H,8H2,1-5H3,(H,11,13).
What are the key properties of 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide?
3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2,2-dimethylpropyl)prop-2-enamide is sourced from PubChem (CID 91309976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).