5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine

C12H22F3N — CID 156716002

IUPAC5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine
SMILESCC(N)(CCC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-11(16,9-12(13,14)15)8-7-10-5-3-2-4-6-10/h10H,2-9,16H2,1H3
InChIKeyFDMDULNBMMZWPO-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.02
Rot. Bonds4

About 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine

5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine (PubChem CID 156716002) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine
PubChem CID156716002
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine
SMILESCC(N)(CCC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-11(16,9-12(13,14)15)8-7-10-5-3-2-4-6-10/h10H,2-9,16H2,1H3
InChIKeyFDMDULNBMMZWPO-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine?
The IUPAC name of 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine (CID 156716002) is 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine.
What is the SMILES notation for 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine?
The canonical SMILES for 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine is CC(N)(CCC1CCCCC1)CC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine?
The InChIKey is FDMDULNBMMZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-11(16,9-12(13,14)15)8-7-10-5-3-2-4-6-10/h10H,2-9,16H2,1H3.
What are the key properties of 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine?
5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine has a molecular weight of 237.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,1,1-trifluoro-3-methylpentan-3-amine is sourced from PubChem (CID 156716002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).