(3-fluoro-3-methylpyrrolidin-1-yl)methanamine

C6H13FN2 — CID 170381748

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)methanamine
SMILESCC1(F)CCN(CN)C1
InChIInChI=1S/C6H13FN2/c1-6(7)2-3-9(4-6)5-8/h2-5,8H2,1H3
InChIKeyAMWMFPPTDNRTOY-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.34
Rot. Bonds1

About (3-fluoro-3-methylpyrrolidin-1-yl)methanamine

(3-fluoro-3-methylpyrrolidin-1-yl)methanamine (PubChem CID 170381748) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)methanamine
PubChem CID170381748
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)methanamine
SMILESCC1(F)CCN(CN)C1
InChIInChI=1S/C6H13FN2/c1-6(7)2-3-9(4-6)5-8/h2-5,8H2,1H3
InChIKeyAMWMFPPTDNRTOY-UHFFFAOYSA-N
XLogP0.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)methanamine?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)methanamine (CID 170381748) is (3-fluoro-3-methylpyrrolidin-1-yl)methanamine.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)methanamine?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)methanamine is CC1(F)CCN(CN)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)methanamine?
The InChIKey is AMWMFPPTDNRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-6(7)2-3-9(4-6)5-8/h2-5,8H2,1H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)methanamine?
(3-fluoro-3-methylpyrrolidin-1-yl)methanamine has a molecular weight of 132.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)methanamine is sourced from PubChem (CID 170381748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).