N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine

C12H20F3N — CID 60685103

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C12H20F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h8-11,16H,2-7H2,1H3
InChIKeyZUWLJIMMQVRWID-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 60685103) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID60685103
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C12H20F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h8-11,16H,2-7H2,1H3
InChIKeyZUWLJIMMQVRWID-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 60685103) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZUWLJIMMQVRWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(16-5-4-12(13,14)15)11-7-9-2-3-10(11)6-9/h8-11,16H,2-7H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 60685103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).