2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine

C13H19F3N2 — CID 79090338

IUPAC2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2/c1-9-6-7-10(2)18(9)17-12-5-3-4-11(8-12)13(14,15)16/h6-7,11-12,17H,3-5,8H2,1-2H3
InChIKeyHFACJIMARTUDAS-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.77
Rot. Bonds2

About 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine

2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine (PubChem CID 79090338) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
PubChem CID79090338
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2/c1-9-6-7-10(2)18(9)17-12-5-3-4-11(8-12)13(14,15)16/h6-7,11-12,17H,3-5,8H2,1-2H3
InChIKeyHFACJIMARTUDAS-UHFFFAOYSA-N
XLogP3.77
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine (CID 79090338) is 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine is Cc1ccc(C)n1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The InChIKey is HFACJIMARTUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9-6-7-10(2)18(9)17-12-5-3-4-11(8-12)13(14,15)16/h6-7,11-12,17H,3-5,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine has a molecular weight of 260.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrol-1-amine is sourced from PubChem (CID 79090338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).