2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine

C9H17F3N2 — CID 162594611

IUPAC2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCCCC1CC(C(F)(F)F)CN1N
InChIInChI=1S/C9H17F3N2/c1-2-3-4-8-5-7(6-14(8)13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyLGCXUKWWGGWBKX-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.30
Rot. Bonds3

About 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine

2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 162594611) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID162594611
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCCCC1CC(C(F)(F)F)CN1N
InChIInChI=1S/C9H17F3N2/c1-2-3-4-8-5-7(6-14(8)13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyLGCXUKWWGGWBKX-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine (CID 162594611) is 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine is CCCCC1CC(C(F)(F)F)CN1N.
What is the InChIKey of 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is LGCXUKWWGGWBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-3-4-8-5-7(6-14(8)13)9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine?
2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 210.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 162594611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).