[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C13H23F3N2 — CID 64757805

IUPAC[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCN(C2(CN)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-10-4-6-18(8-10)12(9-17)5-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyMGCYOVYIEADQLF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.78
Rot. Bonds2

About [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64757805) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64757805
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCN(C2(CN)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-10-4-6-18(8-10)12(9-17)5-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyMGCYOVYIEADQLF-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64757805) is [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is CC1CCN(C2(CN)CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is MGCYOVYIEADQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10-4-6-18(8-10)12(9-17)5-2-3-11(7-12)13(14,15)16/h10-11H,2-9,17H2,1H3.
What are the key properties of [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64757805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).