(3-fluoro-4-methylpyrrolidin-1-yl)methanamine

C6H13FN2 — CID 150369867

IUPAC(3-fluoro-4-methylpyrrolidin-1-yl)methanamine
SMILESCC1CN(CN)CC1F
InChIInChI=1S/C6H13FN2/c1-5-2-9(4-8)3-6(5)7/h5-6H,2-4,8H2,1H3
InChIKeyGXMUQFHUTRESGL-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.19
Rot. Bonds1

About (3-fluoro-4-methylpyrrolidin-1-yl)methanamine

(3-fluoro-4-methylpyrrolidin-1-yl)methanamine (PubChem CID 150369867) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3-fluoro-4-methylpyrrolidin-1-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylpyrrolidin-1-yl)methanamine
PubChem CID150369867
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3-fluoro-4-methylpyrrolidin-1-yl)methanamine
SMILESCC1CN(CN)CC1F
InChIInChI=1S/C6H13FN2/c1-5-2-9(4-8)3-6(5)7/h5-6H,2-4,8H2,1H3
InChIKeyGXMUQFHUTRESGL-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylpyrrolidin-1-yl)methanamine?
The IUPAC name of (3-fluoro-4-methylpyrrolidin-1-yl)methanamine (CID 150369867) is (3-fluoro-4-methylpyrrolidin-1-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylpyrrolidin-1-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methylpyrrolidin-1-yl)methanamine is CC1CN(CN)CC1F.
What is the InChIKey of (3-fluoro-4-methylpyrrolidin-1-yl)methanamine?
The InChIKey is GXMUQFHUTRESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5-2-9(4-8)3-6(5)7/h5-6H,2-4,8H2,1H3.
What are the key properties of (3-fluoro-4-methylpyrrolidin-1-yl)methanamine?
(3-fluoro-4-methylpyrrolidin-1-yl)methanamine has a molecular weight of 132.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylpyrrolidin-1-yl)methanamine is sourced from PubChem (CID 150369867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).