N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine

C12H22FNO — CID 169190947

IUPACN-(4-fluoro-4-methylcyclohexyl)oxan-3-amine
SMILESCC1(F)CCC(NC2CCCOC2)CC1
InChIInChI=1S/C12H22FNO/c1-12(13)6-4-10(5-7-12)14-11-3-2-8-15-9-11/h10-11,14H,2-9H2,1H3
InChIKeyBLUBNKODJMUNQK-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.43
Rot. Bonds2

About N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine

N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine (PubChem CID 169190947) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-4-methylcyclohexyl)oxan-3-amine
PubChem CID169190947
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC NameN-(4-fluoro-4-methylcyclohexyl)oxan-3-amine
SMILESCC1(F)CCC(NC2CCCOC2)CC1
InChIInChI=1S/C12H22FNO/c1-12(13)6-4-10(5-7-12)14-11-3-2-8-15-9-11/h10-11,14H,2-9H2,1H3
InChIKeyBLUBNKODJMUNQK-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine?
The IUPAC name of N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine (CID 169190947) is N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine.
What is the SMILES notation for N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine?
The canonical SMILES for N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine is CC1(F)CCC(NC2CCCOC2)CC1.
What is the InChIKey of N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine?
The InChIKey is BLUBNKODJMUNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)6-4-10(5-7-12)14-11-3-2-8-15-9-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine?
N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine has a molecular weight of 215.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine is sourced from PubChem (CID 169190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).