N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide

C8H14N2O — CID 87537827

IUPACN-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide
SMILESC=CC(N)N(C)C(=O)C(=C)C
InChIInChI=1S/C8H14N2O/c1-5-7(9)10(4)8(11)6(2)3/h5,7H,1-2,9H2,3-4H3
InChIKeyBONCIRUFQGVZSV-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.49
Rot. Bonds3

About N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide

N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide (PubChem CID 87537827) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide
PubChem CID87537827
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide
SMILESC=CC(N)N(C)C(=O)C(=C)C
InChIInChI=1S/C8H14N2O/c1-5-7(9)10(4)8(11)6(2)3/h5,7H,1-2,9H2,3-4H3
InChIKeyBONCIRUFQGVZSV-UHFFFAOYSA-N
XLogP0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-((Dibutylamino)methyl)methacrylamide
CID 3021949
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 10466073
N,N-(dimethylamino)propylacrylamide
CID 19831617
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
CID 159721978
N-((Diethylamino)methyl)methacrylamide
CID 82447
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 3017753
N-(diethylaminomethyl)-2-methylprop-2-enamide;hydrochloride
CID 177845413
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 10466072
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 11160059
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium
CID 11160060
2-methyl-N-(prop-2-enylcarbamoyl)prop-2-enamide
CID 13643642
N-(1-aminoethyl)-2-methylprop-2-enamide
CID 17905295

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide (CID 87537827) is N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide is C=CC(N)N(C)C(=O)C(=C)C.
What is the InChIKey of N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide?
The InChIKey is BONCIRUFQGVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-7(9)10(4)8(11)6(2)3/h5,7H,1-2,9H2,3-4H3.
What are the key properties of N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide?
N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-2-enyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 87537827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).