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

C9H18FN — CID 139319988

IUPACN-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(NC(C)(C)C)C1
InChIInChI=1S/C9H18FN/c1-8(2,3)11-7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3
InChIKeyOFZAUYNWRDHHIX-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.27
Rot. Bonds1

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

N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine (PubChem CID 139319988) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
PubChem CID139319988
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
SMILESCC1(F)CC(NC(C)(C)C)C1
InChIInChI=1S/C9H18FN/c1-8(2,3)11-7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3
InChIKeyOFZAUYNWRDHHIX-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine (CID 139319988) is N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine is CC1(F)CC(NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
The InChIKey is OFZAUYNWRDHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2,3)11-7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine?
N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine is sourced from PubChem (CID 139319988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).