4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine

C14H26F3NO — CID 103031844

IUPAC4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,19-3)9-8-12(18)10-4-6-11(7-5-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyXPIWPWUHMWQBPO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.89
Rot. Bonds5

About 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine

4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 103031844) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID103031844
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,19-3)9-8-12(18)10-4-6-11(7-5-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyXPIWPWUHMWQBPO-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 103031844) is 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine is COC(C)(C)CCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is XPIWPWUHMWQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,19-3)9-8-12(18)10-4-6-11(7-5-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine?
4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 103031844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).