N,N-dimethylprop-2-en-1-amine;propanoic acid

C8H17NO2 — CID 174613403

IUPACN,N-dimethylprop-2-en-1-amine;propanoic acid
SMILESC=CCN(C)C.CCC(=O)O
InChIInChI=1S/C5H11N.C3H6O2/c1-4-5-6(2)3;1-2-3(4)5/h4H,1,5H2,2-3H3;2H2,1H3,(H,4,5)
InChIKeyQMKKRZQLPVOLJU-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds3

About N,N-dimethylprop-2-en-1-amine;propanoic acid

N,N-dimethylprop-2-en-1-amine;propanoic acid (PubChem CID 174613403) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;propanoic acid.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;propanoic acid
PubChem CID174613403
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN,N-dimethylprop-2-en-1-amine;propanoic acid
SMILESC=CCN(C)C.CCC(=O)O
InChIInChI=1S/C5H11N.C3H6O2/c1-4-5-6(2)3;1-2-3(4)5/h4H,1,5H2,2-3H3;2H2,1H3,(H,4,5)
InChIKeyQMKKRZQLPVOLJU-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-en-1-amine;propanoic acid?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;propanoic acid (CID 174613403) is N,N-dimethylprop-2-en-1-amine;propanoic acid.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;propanoic acid?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;propanoic acid is C=CCN(C)C.CCC(=O)O.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;propanoic acid?
The InChIKey is QMKKRZQLPVOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O2/c1-4-5-6(2)3;1-2-3(4)5/h4H,1,5H2,2-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-dimethylprop-2-en-1-amine;propanoic acid?
N,N-dimethylprop-2-en-1-amine;propanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;propanoic acid is sourced from PubChem (CID 174613403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).