N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine

C10H16F3N — CID 142474668

IUPACN-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)CNC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H16F3N/c1-7(2)3-14-9-4-8(5-9,6-9)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyPWPZFVFQGHTBSE-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.72
Rot. Bonds3

About N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine

N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 142474668) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID142474668
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)CNC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H16F3N/c1-7(2)3-14-9-4-8(5-9,6-9)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyPWPZFVFQGHTBSE-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine (CID 142474668) is N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine is CC(C)CNC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is PWPZFVFQGHTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(2)3-14-9-4-8(5-9,6-9)10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine?
N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 142474668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).