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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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).