methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine

C14H26F3N3 — CID 177180015

IUPACmethylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCC1CCCC1.CCC.Nc1nccn1CC(F)(F)F
InChIInChI=1S/C6H12.C5H6F3N3.C3H8/c1-6-4-2-3-5-6;6-5(7,8)3-11-2-1-10-4(11)9;1-3-2/h6H,2-5H2,1H3;1-2H,3H2,(H2,9,10);3H2,1-2H3
InChIKeyRBXBHKMMEHEKCC-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.64
Rot. Bonds1

About methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine

methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine (PubChem CID 177180015) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine.

Molecular Properties

Compound Namemethylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine
PubChem CID177180015
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Namemethylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCC1CCCC1.CCC.Nc1nccn1CC(F)(F)F
InChIInChI=1S/C6H12.C5H6F3N3.C3H8/c1-6-4-2-3-5-6;6-5(7,8)3-11-2-1-10-4(11)9;1-3-2/h6H,2-5H2,1H3;1-2H,3H2,(H2,9,10);3H2,1-2H3
InChIKeyRBXBHKMMEHEKCC-UHFFFAOYSA-N
XLogP4.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The IUPAC name of methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine (CID 177180015) is methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine.
What is the SMILES notation for methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The canonical SMILES for methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine is CC1CCCC1.CCC.Nc1nccn1CC(F)(F)F.
What is the InChIKey of methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The InChIKey is RBXBHKMMEHEKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H6F3N3.C3H8/c1-6-4-2-3-5-6;6-5(7,8)3-11-2-1-10-4(11)9;1-3-2/h6H,2-5H2,1H3;1-2H,3H2,(H2,9,10);3H2,1-2H3.
What are the key properties of methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine?
methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine has a molecular weight of 293.38 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;propane;1-(2,2,2-trifluoroethyl)imidazol-2-amine is sourced from PubChem (CID 177180015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).