[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine

C15H25F3N2 — CID 114489699

IUPAC[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3N2/c1-2-11-3-4-12(10-19)14(9-11)20-7-5-13(6-8-20)15(16,17)18/h5,11-12,14H,2-4,6-10,19H2,1H3
InChIKeyDEHIVURZSOJEJP-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.33
Rot. Bonds3

About [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine

[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (PubChem CID 114489699) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
PubChem CID114489699
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H25F3N2/c1-2-11-3-4-12(10-19)14(9-11)20-7-5-13(6-8-20)15(16,17)18/h5,11-12,14H,2-4,6-10,19H2,1H3
InChIKeyDEHIVURZSOJEJP-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 102628029
[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163514
N-[cyclohepten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106656962
N-[cyclohexen-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657266
N-[cyclohexen-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 106657272
1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 106657342
N-[cyclohexen-1-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 106657381
N-[cyclohexen-1-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657409
N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 106657434
1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106657470
N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106657491

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (CID 114489699) is [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is CCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1.
What is the InChIKey of [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The InChIKey is DEHIVURZSOJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-2-11-3-4-12(10-19)14(9-11)20-7-5-13(6-8-20)15(16,17)18/h5,11-12,14H,2-4,6-10,19H2,1H3.
What are the key properties of [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 114489699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).