[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C14H23F3N2O — CID 120809161

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O/c1-13(8-18)6-7-19(9-13)12(20)10-4-2-3-5-11(10)14(15,16)17/h10-11H,2-9,18H2,1H3
InChIKeyIGYNBEMONXYYLI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.55
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 120809161) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID120809161
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O/c1-13(8-18)6-7-19(9-13)12(20)10-4-2-3-5-11(10)14(15,16)17/h10-11H,2-9,18H2,1H3
InChIKeyIGYNBEMONXYYLI-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 120809161) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is CC1(CN)CCN(C(=O)C2CCCCC2C(F)(F)F)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is IGYNBEMONXYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-13(8-18)6-7-19(9-13)12(20)10-4-2-3-5-11(10)14(15,16)17/h10-11H,2-9,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 292.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 120809161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).