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

C14H23F3N2 — CID 114490254

IUPAC1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-4-9-19(10-5-12)11-8-13(18)6-2-1-3-7-13/h4H,1-3,5-11,18H2
InChIKeyHSONRGLHPQINKE-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.23
Rot. Bonds3

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

1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 114490254) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID114490254
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-4-9-19(10-5-12)11-8-13(18)6-2-1-3-7-13/h4H,1-3,5-11,18H2
InChIKeyHSONRGLHPQINKE-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.23
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

[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 113591608
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentan-1-amine
CID 113591693
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591694
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine
CID 114489669
[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489677
[4-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489699
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 114490089
[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 114490098
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 114490107
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine
CID 114490110
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
CID 114490153

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine (CID 114490254) is 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is NC1(CCN2CC=C(C(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is HSONRGLHPQINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)12-4-9-19(10-5-12)11-8-13(18)6-2-1-3-7-13/h4H,1-3,5-11,18H2.
What are the key properties of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine?
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 276.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114490254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).