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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Related Compounds

N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139
N-(2-aminoethyl)-N-methylcarbamoyl iodide
CID 147395077
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
3-hydroxy-N-methyl-N-(2-nitrosoethyl)but-2-enamide
CID 163598470
N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide
CID 170240905
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
7-amino-2-methylhept-2-en-4-one
CID 116553411
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833

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).