N-ethylethanamine;ethyl octanoate

C14H31NO2 — CID 175032513

IUPACN-ethylethanamine;ethyl octanoate
SMILESCCCCCCCC(=O)OCC.CCNCC
InChIInChI=1S/C10H20O2.C4H11N/c1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-4-2/h3-9H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyQEVIHWCTCLAVDO-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.53
Rot. Bonds9

About N-ethylethanamine;ethyl octanoate

N-ethylethanamine;ethyl octanoate (PubChem CID 175032513) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethylethanamine;ethyl octanoate.

Molecular Properties

Compound NameN-ethylethanamine;ethyl octanoate
PubChem CID175032513
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-ethylethanamine;ethyl octanoate
SMILESCCCCCCCC(=O)OCC.CCNCC
InChIInChI=1S/C10H20O2.C4H11N/c1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-4-2/h3-9H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyQEVIHWCTCLAVDO-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentakis(ethyl octanoate);hexane
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ethyl tetradecanoate
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ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;gadolinium
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ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;titanium
CID 87406037

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;ethyl octanoate?
The IUPAC name of N-ethylethanamine;ethyl octanoate (CID 175032513) is N-ethylethanamine;ethyl octanoate.
What is the SMILES notation for N-ethylethanamine;ethyl octanoate?
The canonical SMILES for N-ethylethanamine;ethyl octanoate is CCCCCCCC(=O)OCC.CCNCC.
What is the InChIKey of N-ethylethanamine;ethyl octanoate?
The InChIKey is QEVIHWCTCLAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H11N/c1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-4-2/h3-9H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;ethyl octanoate?
N-ethylethanamine;ethyl octanoate has a molecular weight of 245.41 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;ethyl octanoate is sourced from PubChem (CID 175032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).