N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C14H19F3N2 — CID 63539836

IUPACN-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCC(CNc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-10-4-6-11(7-5-10)9-19-13-12(14(15,16)17)3-2-8-18-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19)
InChIKeyCAHTZJYYWLNOJC-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.34
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 63539836) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID63539836
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCC(CNc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-10-4-6-11(7-5-10)9-19-13-12(14(15,16)17)3-2-8-18-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19)
InChIKeyCAHTZJYYWLNOJC-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 63539836) is N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is CC1CCC(CNc2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CAHTZJYYWLNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-4-6-11(7-5-10)9-19-13-12(14(15,16)17)3-2-8-18-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63539836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).