4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine

C13H23F3N2 — CID 114272008

IUPAC4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-9-2-3-12(17)10(6-9)7-18-5-4-11(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyRFBJNVLRFDKSNK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.63
Rot. Bonds2

About 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine

4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 114272008) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
PubChem CID114272008
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-9-2-3-12(17)10(6-9)7-18-5-4-11(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyRFBJNVLRFDKSNK-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine (CID 114272008) is 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine is CC1CCC(N)C(CN2CCC(C(F)(F)F)C2)C1.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is RFBJNVLRFDKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-9-2-3-12(17)10(6-9)7-18-5-4-11(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3.
What are the key properties of 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine?
4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 114272008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).