N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride

C6H13ClN2O — CID 22641179

IUPACN-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NCCN.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(2)6(9)8-4-3-7;/h1,3-4,7H2,2H3,(H,8,9);1H
InChIKeyRUSMHXACRXXLKQ-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.06
Rot. Bonds3

About N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride

N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride (PubChem CID 22641179) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride
PubChem CID22641179
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC NameN-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride
SMILESC=C(C)C(=O)NCCN.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(2)6(9)8-4-3-7;/h1,3-4,7H2,2H3,(H,8,9);1H
InChIKeyRUSMHXACRXXLKQ-UHFFFAOYSA-N
XLogP0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.06
H-Bond Donors ≤ 52
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)-2-methylprop-2-enamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride (CID 22641179) is N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride is C=C(C)C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride?
The InChIKey is RUSMHXACRXXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-5(2)6(9)8-4-3-7;/h1,3-4,7H2,2H3,(H,8,9);1H.
What are the key properties of N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride?
N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 22641179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).