N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide

C10H20N2O — CID 150371238

IUPACN-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCNC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(13)12(5)8-7-11-10(2,3)4/h6,11H,1,7-8H2,2-5H3
InChIKeyGXTSWYOXNOEEHA-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide

N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide (PubChem CID 150371238) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide
PubChem CID150371238
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCNC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(13)12(5)8-7-11-10(2,3)4/h6,11H,1,7-8H2,2-5H3
InChIKeyGXTSWYOXNOEEHA-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
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 N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide (CID 150371238) is N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCNC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide?
The InChIKey is GXTSWYOXNOEEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-9(13)12(5)8-7-11-10(2,3)4/h6,11H,1,7-8H2,2-5H3.
What are the key properties of N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide?
N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 150371238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).