7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol

C16H32FNO — CID 123687092

IUPAC7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol
SMILESCCNC1CCCC(CCCC(C)F)CC(O)CC1
InChIInChI=1S/C16H32FNO/c1-3-18-15-9-5-8-14(7-4-6-13(2)17)12-16(19)11-10-15/h13-16,18-19H,3-12H2,1-2H3
InChIKeyFQJLPIQZLXTAGP-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.82
Rot. Bonds6

About 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol

7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol (PubChem CID 123687092) has the molecular formula C16H32FNO and a molecular weight of 273.44 g/mol. Its IUPAC name is 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol.

Molecular Properties

Compound Name7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol
PubChem CID123687092
Molecular FormulaC16H32FNO
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Name7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol
SMILESCCNC1CCCC(CCCC(C)F)CC(O)CC1
InChIInChI=1S/C16H32FNO/c1-3-18-15-9-5-8-14(7-4-6-13(2)17)12-16(19)11-10-15/h13-16,18-19H,3-12H2,1-2H3
InChIKeyFQJLPIQZLXTAGP-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol?
The IUPAC name of 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol (CID 123687092) is 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol.
What is the SMILES notation for 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol?
The canonical SMILES for 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol is CCNC1CCCC(CCCC(C)F)CC(O)CC1.
What is the InChIKey of 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol?
The InChIKey is FQJLPIQZLXTAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FNO/c1-3-18-15-9-5-8-14(7-4-6-13(2)17)12-16(19)11-10-15/h13-16,18-19H,3-12H2,1-2H3.
What are the key properties of 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol?
7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-3-(4-fluoropentyl)cyclononan-1-ol is sourced from PubChem (CID 123687092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).