3-(diethylamino)-3-ethylnon-8-en-4-ol

C15H31NO — CID 79061533

IUPAC3-(diethylamino)-3-ethylnon-8-en-4-ol
SMILESC=CCCCC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H31NO/c1-6-11-12-13-14(17)15(7-2,8-3)16(9-4)10-5/h6,14,17H,1,7-13H2,2-5H3
InChIKeyFBNCPNPHNFIUND-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.60
Rot. Bonds10

About 3-(diethylamino)-3-ethylnon-8-en-4-ol

3-(diethylamino)-3-ethylnon-8-en-4-ol (PubChem CID 79061533) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethylnon-8-en-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-ethylnon-8-en-4-ol
PubChem CID79061533
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(diethylamino)-3-ethylnon-8-en-4-ol
SMILESC=CCCCC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C15H31NO/c1-6-11-12-13-14(17)15(7-2,8-3)16(9-4)10-5/h6,14,17H,1,7-13H2,2-5H3
InChIKeyFBNCPNPHNFIUND-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethylnon-8-en-4-ol?
The IUPAC name of 3-(diethylamino)-3-ethylnon-8-en-4-ol (CID 79061533) is 3-(diethylamino)-3-ethylnon-8-en-4-ol.
What is the SMILES notation for 3-(diethylamino)-3-ethylnon-8-en-4-ol?
The canonical SMILES for 3-(diethylamino)-3-ethylnon-8-en-4-ol is C=CCCCC(O)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-ethylnon-8-en-4-ol?
The InChIKey is FBNCPNPHNFIUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-11-12-13-14(17)15(7-2,8-3)16(9-4)10-5/h6,14,17H,1,7-13H2,2-5H3.
What are the key properties of 3-(diethylamino)-3-ethylnon-8-en-4-ol?
3-(diethylamino)-3-ethylnon-8-en-4-ol has a molecular weight of 241.42 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethylnon-8-en-4-ol is sourced from PubChem (CID 79061533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).