1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine

C9H18FN — CID 115012492

IUPAC1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(N)(C(C)(C)C)C1
InChIInChI=1S/C9H18FN/c1-7(2,3)9(11)5-8(4,10)6-9/h5-6,11H2,1-4H3
InChIKeyRAMYQKKEDSKSEK-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds

About 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine

1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine (PubChem CID 115012492) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
PubChem CID115012492
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(N)(C(C)(C)C)C1
InChIInChI=1S/C9H18FN/c1-7(2,3)9(11)5-8(4,10)6-9/h5-6,11H2,1-4H3
InChIKeyRAMYQKKEDSKSEK-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The IUPAC name of 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine (CID 115012492) is 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine.
What is the SMILES notation for 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The canonical SMILES for 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine is CC1(F)CC(N)(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The InChIKey is RAMYQKKEDSKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2,3)9(11)5-8(4,10)6-9/h5-6,11H2,1-4H3.
What are the key properties of 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115012492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).