N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine

C15H28F3N3 — CID 64750975

IUPACN,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-11-8-12(2)14(13(9-11)19-3)21-6-4-20(5-7-21)10-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyUTPAIPNIBMNUQE-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.19
Rot. Bonds3

About N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine

N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (PubChem CID 64750975) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
PubChem CID64750975
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-11-8-12(2)14(13(9-11)19-3)21-6-4-20(5-7-21)10-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyUTPAIPNIBMNUQE-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752559
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 79938671
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 64735862
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 55141742
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 62968920
N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
CID 79945669
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
2-(2-ethylpiperidin-1-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64723403

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (CID 64750975) is N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is CNC1CC(C)CC(C)C1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The InChIKey is UTPAIPNIBMNUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-11-8-12(2)14(13(9-11)19-3)21-6-4-20(5-7-21)10-15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 64750975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).