N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C16H23F3N2 — CID 105098515

IUPACN-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-2-9-21-15(12-6-5-10-20-11-12)13-7-3-4-8-14(13)16(17,18)19/h5-6,10-11,13-15,21H,2-4,7-9H2,1H3
InChIKeyVIWWQCHLDMFDNC-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.49
Rot. Bonds5

About N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105098515) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105098515
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-2-9-21-15(12-6-5-10-20-11-12)13-7-3-4-8-14(13)16(17,18)19/h5-6,10-11,13-15,21H,2-4,7-9H2,1H3
InChIKeyVIWWQCHLDMFDNC-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105084116
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105098515) is N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(c1cccnc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is VIWWQCHLDMFDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-9-21-15(12-6-5-10-20-11-12)13-7-3-4-8-14(13)16(17,18)19/h5-6,10-11,13-15,21H,2-4,7-9H2,1H3.
What are the key properties of N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105098515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).