N,N-diethylethanamine;propanoic acid

C9H21NO2 — CID 71366369

IUPACN,N-diethylethanamine;propanoic acid
SMILESCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H6O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyJYFPFWCWXLBYDY-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.83
Rot. Bonds4

About N,N-diethylethanamine;propanoic acid

N,N-diethylethanamine;propanoic acid (PubChem CID 71366369) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N,N-diethylethanamine;propanoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;propanoic acid
PubChem CID71366369
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN,N-diethylethanamine;propanoic acid
SMILESCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H6O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyJYFPFWCWXLBYDY-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;propanoic acid?
The IUPAC name of N,N-diethylethanamine;propanoic acid (CID 71366369) is N,N-diethylethanamine;propanoic acid.
What is the SMILES notation for N,N-diethylethanamine;propanoic acid?
The canonical SMILES for N,N-diethylethanamine;propanoic acid is CCC(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;propanoic acid?
The InChIKey is JYFPFWCWXLBYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H6O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-diethylethanamine;propanoic acid?
N,N-diethylethanamine;propanoic acid has a molecular weight of 175.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;propanoic acid is sourced from PubChem (CID 71366369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).