N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H17F3N2 — CID 43434617

IUPACN-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-4-6-11(7-5-10)18-9-12-3-1-2-8-17-12/h1-3,8,10-11,18H,4-7,9H2
InChIKeySNDOSKCSDMKVHD-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.29
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434617) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434617
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-4-6-11(7-5-10)18-9-12-3-1-2-8-17-12/h1-3,8,10-11,18H,4-7,9H2
InChIKeySNDOSKCSDMKVHD-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 81171188
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 43434617) is N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2ccccn2)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SNDOSKCSDMKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)10-4-6-11(7-5-10)18-9-12-3-1-2-8-17-12/h1-3,8,10-11,18H,4-7,9H2.
What are the key properties of N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 258.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).