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

C13H24N2O3 — CID 87109589

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)O
InChIInChI=1S/C9H18N2O.C4H6O2/c1-8(2)9(12)10-6-5-7-11(3)4;1-3(2)4(5)6/h1,5-7H2,2-4H3,(H,10,12);1H2,2H3,(H,5,6)
InChIKeyHBMNNOUETVVBHK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid (PubChem CID 87109589) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid
PubChem CID87109589
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)O
InChIInChI=1S/C9H18N2O.C4H6O2/c1-8(2)9(12)10-6-5-7-11(3)4;1-3(2)4(5)6/h1,5-7H2,2-4H3,(H,10,12);1H2,2H3,(H,5,6)
InChIKeyHBMNNOUETVVBHK-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid (CID 87109589) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid is C=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The InChIKey is HBMNNOUETVVBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C4H6O2/c1-8(2)9(12)10-6-5-7-11(3)4;1-3(2)4(5)6/h1,5-7H2,2-4H3,(H,10,12);1H2,2H3,(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 87109589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).