N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride

C11H22ClN3O2 — CID 173080700

IUPACN-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCCN(C)C.C=CC(N)=O.Cl
InChIInChI=1S/C8H16N2O.C3H5NO.ClH/c1-4-8(11)9-6-5-7-10(2)3;1-2-3(4)5;/h4H,1,5-7H2,2-3H3,(H,9,11);2H,1H2,(H2,4,5);1H
InChIKeyBEEFMYJFYFUYLI-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.32
Rot. Bonds6

About N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride

N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride (PubChem CID 173080700) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
PubChem CID173080700
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCCN(C)C.C=CC(N)=O.Cl
InChIInChI=1S/C8H16N2O.C3H5NO.ClH/c1-4-8(11)9-6-5-7-10(2)3;1-2-3(4)5;/h4H,1,5-7H2,2-3H3,(H,9,11);2H,1H2,(H2,4,5);1H
InChIKeyBEEFMYJFYFUYLI-UHFFFAOYSA-N
XLogP0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.32
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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Related Compounds

N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
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-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride (CID 173080700) is N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride is C=CC(=O)NCCCN(C)C.C=CC(N)=O.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride?
The InChIKey is BEEFMYJFYFUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C3H5NO.ClH/c1-4-8(11)9-6-5-7-10(2)3;1-2-3(4)5;/h4H,1,5-7H2,2-3H3,(H,9,11);2H,1H2,(H2,4,5);1H.
What are the key properties of N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride?
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.32, 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]prop-2-enamide;prop-2-enamide;hydrochloride is sourced from PubChem (CID 173080700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).