N-(2-aminoethyl)-N,3-dimethylbut-2-enamide

C8H16N2O — CID 62681125

IUPACN-(2-aminoethyl)-N,3-dimethylbut-2-enamide
SMILESCC(C)=CC(=O)N(C)CCN
InChIInChI=1S/C8H16N2O/c1-7(2)6-8(11)10(3)5-4-9/h6H,4-5,9H2,1-3H3
InChIKeyYCECEVSYQSBPFX-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds3

About N-(2-aminoethyl)-N,3-dimethylbut-2-enamide

N-(2-aminoethyl)-N,3-dimethylbut-2-enamide (PubChem CID 62681125) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,3-dimethylbut-2-enamide
PubChem CID62681125
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(2-aminoethyl)-N,3-dimethylbut-2-enamide
SMILESCC(C)=CC(=O)N(C)CCN
InChIInChI=1S/C8H16N2O/c1-7(2)6-8(11)10(3)5-4-9/h6H,4-5,9H2,1-3H3
InChIKeyYCECEVSYQSBPFX-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
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-aminoethyl)-N,3-dimethylbut-2-enamide?
The IUPAC name of N-(2-aminoethyl)-N,3-dimethylbut-2-enamide (CID 62681125) is N-(2-aminoethyl)-N,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(2-aminoethyl)-N,3-dimethylbut-2-enamide?
The canonical SMILES for N-(2-aminoethyl)-N,3-dimethylbut-2-enamide is CC(C)=CC(=O)N(C)CCN.
What is the InChIKey of N-(2-aminoethyl)-N,3-dimethylbut-2-enamide?
The InChIKey is YCECEVSYQSBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)6-8(11)10(3)5-4-9/h6H,4-5,9H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N,3-dimethylbut-2-enamide?
N-(2-aminoethyl)-N,3-dimethylbut-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 62681125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).