1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine

C14H23F3N2 — CID 54927121

IUPAC1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
SMILESFC(F)(F)CN1CCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-19-7-6-13(10-19)9-18-8-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2
InChIKeyHUTNZSJDMMYBKJ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.82
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine

1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine (PubChem CID 54927121) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
PubChem CID54927121
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
SMILESFC(F)(F)CN1CCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-19-7-6-13(10-19)9-18-8-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2
InChIKeyHUTNZSJDMMYBKJ-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine (CID 54927121) is 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine is FC(F)(F)CN1CCC(CNCC2CC=CCC2)C1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The InChIKey is HUTNZSJDMMYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)11-19-7-6-13(10-19)9-18-8-12-4-2-1-3-5-12/h1-2,12-13,18H,3-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine has a molecular weight of 276.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine is sourced from PubChem (CID 54927121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).