N,N-diethylethanamine;2-ethylhexanoic acid

C14H31NO2 — CID 6453712

IUPACN,N-diethylethanamine;2-ethylhexanoic acid
SMILESCCCCC(CC)C(=O)O.CCN(CC)CC
InChIInChI=1S/C8H16O2.C6H15N/c1-3-5-6-7(4-2)8(9)10;1-4-7(5-2)6-3/h7H,3-6H2,1-2H3,(H,9,10);4-6H2,1-3H3
InChIKeyGCKXGBNYGSAOGF-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.64
Rot. Bonds8

About N,N-diethylethanamine;2-ethylhexanoic acid

N,N-diethylethanamine;2-ethylhexanoic acid (PubChem CID 6453712) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N,N-diethylethanamine;2-ethylhexanoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;2-ethylhexanoic acid
PubChem CID6453712
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN,N-diethylethanamine;2-ethylhexanoic acid
SMILESCCCCC(CC)C(=O)O.CCN(CC)CC
InChIInChI=1S/C8H16O2.C6H15N/c1-3-5-6-7(4-2)8(9)10;1-4-7(5-2)6-3/h7H,3-6H2,1-2H3,(H,9,10);4-6H2,1-3H3
InChIKeyGCKXGBNYGSAOGF-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-ethylhexanoic acid?
The IUPAC name of N,N-diethylethanamine;2-ethylhexanoic acid (CID 6453712) is N,N-diethylethanamine;2-ethylhexanoic acid.
What is the SMILES notation for N,N-diethylethanamine;2-ethylhexanoic acid?
The canonical SMILES for N,N-diethylethanamine;2-ethylhexanoic acid is CCCCC(CC)C(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;2-ethylhexanoic acid?
The InChIKey is GCKXGBNYGSAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H15N/c1-3-5-6-7(4-2)8(9)10;1-4-7(5-2)6-3/h7H,3-6H2,1-2H3,(H,9,10);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;2-ethylhexanoic acid?
N,N-diethylethanamine;2-ethylhexanoic acid has a molecular weight of 245.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-ethylhexanoic acid is sourced from PubChem (CID 6453712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).