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

C16H28F3NO — CID 64752200

IUPAC3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C16H28F3NO/c1-11-6-12(2)8-14(7-11)20-13-4-3-5-15(9-13)21-10-16(17,18)19/h11-15,20H,3-10H2,1-2H3
InChIKeyYEVFIPKVRNIUBK-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds4

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

3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (PubChem CID 64752200) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
PubChem CID64752200
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C16H28F3NO/c1-11-6-12(2)8-14(7-11)20-13-4-3-5-15(9-13)21-10-16(17,18)19/h11-15,20H,3-10H2,1-2H3
InChIKeyYEVFIPKVRNIUBK-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (CID 64752200) is 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is CC1CC(C)CC(NC2CCCC(OCC(F)(F)F)C2)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The InChIKey is YEVFIPKVRNIUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-11-6-12(2)8-14(7-11)20-13-4-3-5-15(9-13)21-10-16(17,18)19/h11-15,20H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 64752200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).