N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C14H20F3N3 — CID 66330690

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNCC1CCCCC1CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-5-6-19-13(7-12)20-9-11-4-2-1-3-10(11)8-18/h5-7,10-11H,1-4,8-9,18H2,(H,19,20)
InChIKeyVKRIHHNDTBXYIN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.28
Rot. Bonds4

About N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330690) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330690
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNCC1CCCCC1CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-5-6-19-13(7-12)20-9-11-4-2-1-3-10(11)8-18/h5-7,10-11H,1-4,8-9,18H2,(H,19,20)
InChIKeyVKRIHHNDTBXYIN-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 133399633
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
N-(1-cyclohexylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329261

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66330690) is N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is NCC1CCCCC1CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VKRIHHNDTBXYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)12-5-6-19-13(7-12)20-9-11-4-2-1-3-10(11)8-18/h5-7,10-11H,1-4,8-9,18H2,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).