3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C17H30F3N — CID 115998807

IUPAC3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1(C)CC(NC2CCCC(C(F)(F)F)C2)CC(C)(C)C1
InChIInChI=1S/C17H30F3N/c1-15(2)9-14(10-16(3,4)11-15)21-13-7-5-6-12(8-13)17(18,19)20/h12-14,21H,5-11H2,1-4H3
InChIKeySVURSSWSSWEGFG-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.30
Rot. Bonds2

About 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 115998807) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID115998807
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1(C)CC(NC2CCCC(C(F)(F)F)C2)CC(C)(C)C1
InChIInChI=1S/C17H30F3N/c1-15(2)9-14(10-16(3,4)11-15)21-13-7-5-6-12(8-13)17(18,19)20/h12-14,21H,5-11H2,1-4H3
InChIKeySVURSSWSSWEGFG-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 115998807) is 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC1(C)CC(NC2CCCC(C(F)(F)F)C2)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is SVURSSWSSWEGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-15(2)9-14(10-16(3,4)11-15)21-13-7-5-6-12(8-13)17(18,19)20/h12-14,21H,5-11H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 115998807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).