1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine

C11H20FN — CID 105441791

IUPAC1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine
SMILESCC(C)(F)C(CC1(N)CC1)C1CC1
InChIInChI=1S/C11H20FN/c1-10(2,12)9(8-3-4-8)7-11(13)5-6-11/h8-9H,3-7,13H2,1-2H3
InChIKeyRVMRESMBWAZUOX-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine

1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine (PubChem CID 105441791) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine
PubChem CID105441791
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine
SMILESCC(C)(F)C(CC1(N)CC1)C1CC1
InChIInChI=1S/C11H20FN/c1-10(2,12)9(8-3-4-8)7-11(13)5-6-11/h8-9H,3-7,13H2,1-2H3
InChIKeyRVMRESMBWAZUOX-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine (CID 105441791) is 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine is CC(C)(F)C(CC1(N)CC1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine?
The InChIKey is RVMRESMBWAZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2,12)9(8-3-4-8)7-11(13)5-6-11/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine?
1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3-fluoro-3-methylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 105441791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).