2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine

C13H24F3N — CID 116536126

IUPAC2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1(C)CCCC(F)(F)F
InChIInChI=1S/C13H24F3N/c1-10(2)8-17-9-11-7-12(11,3)5-4-6-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyRPOFMGFXYQIDDG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.99
Rot. Bonds7

About 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 116536126) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine
PubChem CID116536126
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1(C)CCCC(F)(F)F
InChIInChI=1S/C13H24F3N/c1-10(2)8-17-9-11-7-12(11,3)5-4-6-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyRPOFMGFXYQIDDG-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine (CID 116536126) is 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1CC1(C)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is RPOFMGFXYQIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-10(2)8-17-9-11-7-12(11,3)5-4-6-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-2-(4,4,4-trifluorobutyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 116536126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).