3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine

C10H18F3N — CID 104860312

IUPAC3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
SMILESCC1CCC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N/c1-7-3-4-9(5-7)14-8(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyULHHZCQJXLBWKD-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds3

About 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine

3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine (PubChem CID 104860312) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
PubChem CID104860312
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
SMILESCC1CCC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N/c1-7-3-4-9(5-7)14-8(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyULHHZCQJXLBWKD-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine (CID 104860312) is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine is CC1CCC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The InChIKey is ULHHZCQJXLBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7-3-4-9(5-7)14-8(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 104860312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).