4-cyclopropyl-3-fluoro-N-methylbutan-2-amine

C8H16FN — CID 105428850

IUPAC4-cyclopropyl-3-fluoro-N-methylbutan-2-amine
SMILESCNC(C)C(F)CC1CC1
InChIInChI=1S/C8H16FN/c1-6(10-2)8(9)5-7-3-4-7/h6-8,10H,3-5H2,1-2H3
InChIKeyGIOQZQCYDIWCRF-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds4

About 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine

4-cyclopropyl-3-fluoro-N-methylbutan-2-amine (PubChem CID 105428850) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-3-fluoro-N-methylbutan-2-amine
PubChem CID105428850
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-cyclopropyl-3-fluoro-N-methylbutan-2-amine
SMILESCNC(C)C(F)CC1CC1
InChIInChI=1S/C8H16FN/c1-6(10-2)8(9)5-7-3-4-7/h6-8,10H,3-5H2,1-2H3
InChIKeyGIOQZQCYDIWCRF-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine?
The IUPAC name of 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine (CID 105428850) is 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine is CNC(C)C(F)CC1CC1.
What is the InChIKey of 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine?
The InChIKey is GIOQZQCYDIWCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(10-2)8(9)5-7-3-4-7/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine?
4-cyclopropyl-3-fluoro-N-methylbutan-2-amine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 105428850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).