2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine

C16H27F3N2 — CID 102628029

IUPAC2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=C(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C16H27F3N2/c1-11-14(20)5-4-13(15(11,2)3)10-21-8-6-12(7-9-21)16(17,18)19/h6,11,13-14H,4-5,7-10,20H2,1-3H3
InChIKeyLPIFRJJARUAQPH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.58
Rot. Bonds2

About 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 102628029) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
PubChem CID102628029
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=C(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C16H27F3N2/c1-11-14(20)5-4-13(15(11,2)3)10-21-8-6-12(7-9-21)16(17,18)19/h6,11,13-14H,4-5,7-10,20H2,1-3H3
InChIKeyLPIFRJJARUAQPH-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 106657492
[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489693
[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489699
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102628026
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628028
2,3,3-trimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 106314944
2,3,3-trimethyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 113718119
[4-tert-butyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
CID 114462585
[4-(2-methylbutan-2-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexyl]methanamine
CID 114462605

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine (CID 102628029) is 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine is CC1C(N)CCC(CN2CC=C(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is LPIFRJJARUAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-11-14(20)5-4-13(15(11,2)3)10-21-8-6-12(7-9-21)16(17,18)19/h6,11,13-14H,4-5,7-10,20H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102628029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).