N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C13H18F3N3 — CID 106128015

IUPACN-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESNC1CCCC(CNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-5-2-6-12(19-11)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19)
InChIKeyABJCVPLBKRFUOU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.03
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 106128015) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID106128015
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESNC1CCCC(CNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-5-2-6-12(19-11)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19)
InChIKeyABJCVPLBKRFUOU-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 106128015) is N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine is NC1CCCC(CNc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ABJCVPLBKRFUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)11-5-2-6-12(19-11)18-8-9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7-8,17H2,(H,18,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106128015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).