4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine

C12H24FNO — CID 103392516

IUPAC4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCCC1
InChIInChI=1S/C12H24FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3
InChIKeyWWTPJNJKLAIDSV-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds6

About 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine

4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392516) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392516
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCCC1
InChIInChI=1S/C12H24FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3
InChIKeyWWTPJNJKLAIDSV-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine (CID 103392516) is 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is WWTPJNJKLAIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3.
What are the key properties of 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine?
4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).