(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine

C11H21FN2 — CID 167503835

IUPAC(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N(CCF)C2CCC2)C1
InChIInChI=1S/C11H21FN2/c1-13-7-5-11(9-13)14(8-6-12)10-3-2-4-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyNBNXHVJEMJDJQS-LLVKDONJSA-N
MW200.30 g/mol
LogP1.51
Rot. Bonds4

About (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine

(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine (PubChem CID 167503835) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine
PubChem CID167503835
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N(CCF)C2CCC2)C1
InChIInChI=1S/C11H21FN2/c1-13-7-5-11(9-13)14(8-6-12)10-3-2-4-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyNBNXHVJEMJDJQS-LLVKDONJSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine (CID 167503835) is (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine is CN1CC[C@@H](N(CCF)C2CCC2)C1.
What is the InChIKey of (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is NBNXHVJEMJDJQS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21FN2/c1-13-7-5-11(9-13)14(8-6-12)10-3-2-4-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine?
(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 200.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 167503835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).