1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine

C8H15FN2 — CID 20763633

IUPAC1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCN1CC(F)C(C2(N)CC2)C1
InChIInChI=1S/C8H15FN2/c1-11-4-6(7(9)5-11)8(10)2-3-8/h6-7H,2-5,10H2,1H3
InChIKeyWWABKWMJOQIFHK-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.38
Rot. Bonds1

About 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine

1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine (PubChem CID 20763633) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine
PubChem CID20763633
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine
SMILESCN1CC(F)C(C2(N)CC2)C1
InChIInChI=1S/C8H15FN2/c1-11-4-6(7(9)5-11)8(10)2-3-8/h6-7H,2-5,10H2,1H3
InChIKeyWWABKWMJOQIFHK-UHFFFAOYSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine (CID 20763633) is 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine is CN1CC(F)C(C2(N)CC2)C1.
What is the InChIKey of 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine?
The InChIKey is WWABKWMJOQIFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-4-6(7(9)5-11)8(10)2-3-8/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine?
1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 20763633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).