N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide

C9H18N2O — CID 54223898

IUPACN-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCN(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(12)11(4)8-6-7-10(2)3/h5H,1,6-8H2,2-4H3
InChIKeyQENDLNJWYIFMIM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.58
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide

N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide (PubChem CID 54223898) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
PubChem CID54223898
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCN(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(12)11(4)8-6-7-10(2)3/h5H,1,6-8H2,2-4H3
InChIKeyQENDLNJWYIFMIM-UHFFFAOYSA-N
XLogP0.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
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-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide (CID 54223898) is N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The InChIKey is QENDLNJWYIFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(12)11(4)8-6-7-10(2)3/h5H,1,6-8H2,2-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide is sourced from PubChem (CID 54223898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).