N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride

C8H20ClN3O — CID 173056449

IUPACN-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
SMILESC=CC(=O)NCCN.CN(C)C.Cl
InChIInChI=1S/C5H10N2O.C3H9N.ClH/c1-2-5(8)7-4-3-6;1-4(2)3;/h2H,1,3-4,6H2,(H,7,8);1-3H3;1H
InChIKeyKNPYNEPWCOLXMX-UHFFFAOYSA-N
MW209.72 g/mol
LogP-0.15
Rot. Bonds3

About N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride

N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride (PubChem CID 173056449) has the molecular formula C8H20ClN3O and a molecular weight of 209.72 g/mol. Its IUPAC name is N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
PubChem CID173056449
Molecular FormulaC8H20ClN3O
Molecular Weight209.72 g/mol
Exact Mass209.13
IUPAC NameN-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
SMILESC=CC(=O)NCCN.CN(C)C.Cl
InChIInChI=1S/C5H10N2O.C3H9N.ClH/c1-2-5(8)7-4-3-6;1-4(2)3;/h2H,1,3-4,6H2,(H,7,8);1-3H3;1H
InChIKeyKNPYNEPWCOLXMX-UHFFFAOYSA-N
XLogP-0.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
acetic acid;N-(3-aminopropyl)prop-2-enamide
CID 173132431
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride (CID 173056449) is N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride is C=CC(=O)NCCN.CN(C)C.Cl.
What is the InChIKey of N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride?
The InChIKey is KNPYNEPWCOLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C3H9N.ClH/c1-2-5(8)7-4-3-6;1-4(2)3;/h2H,1,3-4,6H2,(H,7,8);1-3H3;1H.
What are the key properties of N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride?
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 173056449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).