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

C14H23F3N2 — CID 114489677

IUPAC[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2/c1-10-2-3-11(9-18)13(8-10)19-6-4-12(5-7-19)14(15,16)17/h4,10-11,13H,2-3,5-9,18H2,1H3
InChIKeyPVHOSQPKOOVHQT-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.94
Rot. Bonds2

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

[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (PubChem CID 114489677) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
PubChem CID114489677
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2/c1-10-2-3-11(9-18)13(8-10)19-6-4-12(5-7-19)14(15,16)17/h4,10-11,13H,2-3,5-9,18H2,1H3
InChIKeyPVHOSQPKOOVHQT-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine
CID 146374112
[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963660
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 113591608
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
CID 113591696
[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
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 114490089
4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 114490118
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
CID 114490153
4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine
CID 114490156

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine (CID 114489677) is [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is CC1CCC(CN)C(N2CC=C(C(F)(F)F)CC2)C1.
What is the InChIKey of [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
The InChIKey is PVHOSQPKOOVHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-10-2-3-11(9-18)13(8-10)19-6-4-12(5-7-19)14(15,16)17/h4,10-11,13H,2-3,5-9,18H2,1H3.
What are the key properties of [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine?
[4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine has a molecular weight of 276.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 114489677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).