N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine

C15H21F3N2 — CID 102709252

IUPACN-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1c1cnccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10-3-4-11(8-19-2)12(7-10)13-9-20-6-5-14(13)15(16,17)18/h5-6,9-12,19H,3-4,7-8H2,1-2H3
InChIKeyQUDIUSXNRZZNLM-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.84
Rot. Bonds3

About N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine (PubChem CID 102709252) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine
PubChem CID102709252
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1c1cnccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10-3-4-11(8-19-2)12(7-10)13-9-20-6-5-14(13)15(16,17)18/h5-6,9-12,19H,3-4,7-8H2,1-2H3
InChIKeyQUDIUSXNRZZNLM-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine (CID 102709252) is N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine is CNCC1CCC(C)CC1c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine?
The InChIKey is QUDIUSXNRZZNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10-3-4-11(8-19-2)12(7-10)13-9-20-6-5-14(13)15(16,17)18/h5-6,9-12,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methanamine is sourced from PubChem (CID 102709252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).