N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H23F3N2 — CID 64755272

IUPACN-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFC(F)(F)C1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-3-5-11(6-4-10)18-12-7-9-19-8-1-2-13(12)19/h10-13,18H,1-9H2
InChIKeyKALHGBSWBUABRE-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.93
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 64755272) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID64755272
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFC(F)(F)C1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-3-5-11(6-4-10)18-12-7-9-19-8-1-2-13(12)19/h10-13,18H,1-9H2
InChIKeyKALHGBSWBUABRE-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 64755272) is N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is FC(F)(F)C1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is KALHGBSWBUABRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)10-3-5-11(6-4-10)18-12-7-9-19-8-1-2-13(12)19/h10-13,18H,1-9H2.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 276.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 64755272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).