N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

C14H26F3NO — CID 55093431

IUPACN-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCC1CC(OC(C)CNCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H26F3NO/c1-10-5-12(7-13(3,4)6-10)19-11(2)8-18-9-14(15,16)17/h10-12,18H,5-9H2,1-4H3
InChIKeyKQHBKDUKGXWLRE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (PubChem CID 55093431) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
PubChem CID55093431
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCC1CC(OC(C)CNCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H26F3NO/c1-10-5-12(7-13(3,4)6-10)19-11(2)8-18-9-14(15,16)17/h10-12,18H,5-9H2,1-4H3
InChIKeyKQHBKDUKGXWLRE-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (CID 55093431) is N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is CC1CC(OC(C)CNCC(F)(F)F)CC(C)(C)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The InChIKey is KQHBKDUKGXWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-10-5-12(7-13(3,4)6-10)19-11(2)8-18-9-14(15,16)17/h10-12,18H,5-9H2,1-4H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 55093431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).