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

C15H28F3N3 — CID 64735862

IUPAC3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(CC(F)(F)F)CC2)C(N)C1
InChIInChI=1S/C15H28F3N3/c1-11-7-12(2)13(14(19)8-11)9-20-3-5-21(6-4-20)10-15(16,17)18/h11-14H,3-10,19H2,1-2H3
InChIKeyKZFKEUXJACZUPA-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.18
Rot. Bonds3

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

3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 64735862) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID64735862
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(CC(F)(F)F)CC2)C(N)C1
InChIInChI=1S/C15H28F3N3/c1-11-7-12(2)13(14(19)8-11)9-20-3-5-21(6-4-20)10-15(16,17)18/h11-14H,3-10,19H2,1-2H3
InChIKeyKZFKEUXJACZUPA-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734682
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 64735862) is 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCN(CC(F)(F)F)CC2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is KZFKEUXJACZUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-11-7-12(2)13(14(19)8-11)9-20-3-5-21(6-4-20)10-15(16,17)18/h11-14H,3-10,19H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64735862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).