N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine

C12H23FN2 — CID 168883542

IUPACN-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine
SMILESCN(CCC1NCCC1F)C1CCCC1
InChIInChI=1S/C12H23FN2/c1-15(10-4-2-3-5-10)9-7-12-11(13)6-8-14-12/h10-12,14H,2-9H2,1H3
InChIKeyNEYVBSKUZFMOCF-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine

N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine (PubChem CID 168883542) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine
PubChem CID168883542
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC NameN-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine
SMILESCN(CCC1NCCC1F)C1CCCC1
InChIInChI=1S/C12H23FN2/c1-15(10-4-2-3-5-10)9-7-12-11(13)6-8-14-12/h10-12,14H,2-9H2,1H3
InChIKeyNEYVBSKUZFMOCF-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine (CID 168883542) is N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine is CN(CCC1NCCC1F)C1CCCC1.
What is the InChIKey of N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine?
The InChIKey is NEYVBSKUZFMOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-15(10-4-2-3-5-10)9-7-12-11(13)6-8-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine?
N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine has a molecular weight of 214.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 168883542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).