N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine

C14H19F3N2 — CID 97030726

IUPACN-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1CC(Nc2ccc(C(F)(F)F)cn2)C[C@H](C)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-10(2)7-12(6-9)19-13-4-3-11(8-18-13)14(15,16)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyMXKMYQHHKVXBNU-NXEZZACHSA-N
MW272.31 g/mol
LogP4.34
Rot. Bonds2

About N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 97030726) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID97030726
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1CC(Nc2ccc(C(F)(F)F)cn2)C[C@H](C)C1
InChIInChI=1S/C14H19F3N2/c1-9-5-10(2)7-12(6-9)19-13-4-3-11(8-18-13)14(15,16)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyMXKMYQHHKVXBNU-NXEZZACHSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine (CID 97030726) is N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine is C[C@H]1CC(Nc2ccc(C(F)(F)F)cn2)C[C@H](C)C1.
What is the InChIKey of N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MXKMYQHHKVXBNU-NXEZZACHSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-5-10(2)7-12(6-9)19-13-4-3-11(8-18-13)14(15,16)17/h3-4,8-10,12H,5-7H2,1-2H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 97030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).