N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine

C10H18F3NO — CID 62445971

IUPACN-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)9(5-14-8-3-4-8)15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyRHQDFPRKDWWAMW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds6

About N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine

N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine (PubChem CID 62445971) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
PubChem CID62445971
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)9(5-14-8-3-4-8)15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyRHQDFPRKDWWAMW-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine (CID 62445971) is N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine is CC(C)C(CNC1CC1)OCC(F)(F)F.
What is the InChIKey of N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The InChIKey is RHQDFPRKDWWAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)9(5-14-8-3-4-8)15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62445971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).