1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine

C14H25F3N2O — CID 81466141

IUPAC1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine
SMILESCC1CC(NC2CCCC(OCC(F)(F)F)C2)CN1C
InChIInChI=1S/C14H25F3N2O/c1-10-6-12(8-19(10)2)18-11-4-3-5-13(7-11)20-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyOYUDNQPBIIDCQK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds4

About 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine

1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine (PubChem CID 81466141) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine
PubChem CID81466141
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine
SMILESCC1CC(NC2CCCC(OCC(F)(F)F)C2)CN1C
InChIInChI=1S/C14H25F3N2O/c1-10-6-12(8-19(10)2)18-11-4-3-5-13(7-11)20-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyOYUDNQPBIIDCQK-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine (CID 81466141) is 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine is CC1CC(NC2CCCC(OCC(F)(F)F)C2)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine?
The InChIKey is OYUDNQPBIIDCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10-6-12(8-19(10)2)18-11-4-3-5-13(7-11)20-9-14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 81466141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).