5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine

C24H48FN — CID 146669317

IUPAC5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine
SMILESCCCC(CCC)(CCCCNC)C1CCC(CCC(CC)CF)CC1
InChIInChI=1S/C24H48FN/c1-5-16-24(17-6-2,18-8-9-19-26-4)23-14-12-22(13-15-23)11-10-21(7-3)20-25/h21-23,26H,5-20H2,1-4H3
InChIKeyYUMIRANKDHLWKZ-UHFFFAOYSA-N
MW369.65 g/mol
LogP7.55
Rot. Bonds15

About 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine

5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine (PubChem CID 146669317) has the molecular formula C24H48FN and a molecular weight of 369.65 g/mol. Its IUPAC name is 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine.

Molecular Properties

Compound Name5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine
PubChem CID146669317
Molecular FormulaC24H48FN
Molecular Weight369.65 g/mol
Exact Mass369.38
IUPAC Name5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine
SMILESCCCC(CCC)(CCCCNC)C1CCC(CCC(CC)CF)CC1
InChIInChI=1S/C24H48FN/c1-5-16-24(17-6-2,18-8-9-19-26-4)23-14-12-22(13-15-23)11-10-21(7-3)20-25/h21-23,26H,5-20H2,1-4H3
InChIKeyYUMIRANKDHLWKZ-UHFFFAOYSA-N
XLogP7.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.65
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine?
The IUPAC name of 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine (CID 146669317) is 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine.
What is the SMILES notation for 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine?
The canonical SMILES for 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine is CCCC(CCC)(CCCCNC)C1CCC(CCC(CC)CF)CC1.
What is the InChIKey of 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine?
The InChIKey is YUMIRANKDHLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48FN/c1-5-16-24(17-6-2,18-8-9-19-26-4)23-14-12-22(13-15-23)11-10-21(7-3)20-25/h21-23,26H,5-20H2,1-4H3.
What are the key properties of 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine?
5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine has a molecular weight of 369.65 g/mol, XLogP of 7.55, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(fluoromethyl)pentyl]cyclohexyl]-N-methyl-5-propyloctan-1-amine is sourced from PubChem (CID 146669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).