(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide

C8H16N2O — CID 143271127

IUPAC(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
SMILESC/C=C\C(=O)N(C)CCCN
InChIInChI=1S/C8H16N2O/c1-3-5-8(11)10(2)7-4-6-9/h3,5H,4,6-7,9H2,1-2H3/b5-3-
InChIKeyNXUBRWLHNMPSQZ-HYXAFXHYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds4

About (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide

(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide (PubChem CID 143271127) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
PubChem CID143271127
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
SMILESC/C=C\C(=O)N(C)CCCN
InChIInChI=1S/C8H16N2O/c1-3-5-8(11)10(2)7-4-6-9/h3,5H,4,6-7,9H2,1-2H3/b5-3-
InChIKeyNXUBRWLHNMPSQZ-HYXAFXHYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-[[(E)-but-2-enoyl]-methylamino]butanoic acid
CID 43151833
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139
(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
CID 102410290
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
CID 110459787
(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
CID 176580093
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
CID 115278744
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide?
The IUPAC name of (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide (CID 143271127) is (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide?
The canonical SMILES for (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide is C/C=C\C(=O)N(C)CCCN.
What is the InChIKey of (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide?
The InChIKey is NXUBRWLHNMPSQZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-8(11)10(2)7-4-6-9/h3,5H,4,6-7,9H2,1-2H3/b5-3-.
What are the key properties of (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide?
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-aminopropyl)-N-methylbut-2-enamide is sourced from PubChem (CID 143271127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).