N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen

C7H16N2O — CID 176682975

IUPACN-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NCCN(C)C.[H][H]
InChIInChI=1S/C7H14N2O.H2/c1-4-7(10)8-5-6-9(2)3;/h4H,1,5-6H2,2-3H3,(H,8,10);1H
InChIKeyGBUNFCOPZOVXDD-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.10
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen

N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen (PubChem CID 176682975) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
PubChem CID176682975
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NCCN(C)C.[H][H]
InChIInChI=1S/C7H14N2O.H2/c1-4-7(10)8-5-6-9(2)3;/h4H,1,5-6H2,2-3H3,(H,8,10);1H
InChIKeyGBUNFCOPZOVXDD-UHFFFAOYSA-N
XLogP0.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.10
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-[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
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen?
The IUPAC name of N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen (CID 176682975) is N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen?
The canonical SMILES for N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen is C=CC(=O)NCCN(C)C.[H][H].
What is the InChIKey of N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen?
The InChIKey is GBUNFCOPZOVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.H2/c1-4-7(10)8-5-6-9(2)3;/h4H,1,5-6H2,2-3H3,(H,8,10);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen?
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen has a molecular weight of 144.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen is sourced from PubChem (CID 176682975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).