N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine

C13H23FN2 — CID 177006414

IUPACN-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
SMILESCN1CCC2(CCC2NC2CC(C)(F)C2)C1
InChIInChI=1S/C13H23FN2/c1-12(14)7-10(8-12)15-11-3-4-13(11)5-6-16(2)9-13/h10-11,15H,3-9H2,1-2H3
InChIKeyROOSUUBJBKYKTP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.95
Rot. Bonds2

About N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine

N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine (PubChem CID 177006414) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
PubChem CID177006414
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC NameN-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
SMILESCN1CCC2(CCC2NC2CC(C)(F)C2)C1
InChIInChI=1S/C13H23FN2/c1-12(14)7-10(8-12)15-11-3-4-13(11)5-6-16(2)9-13/h10-11,15H,3-9H2,1-2H3
InChIKeyROOSUUBJBKYKTP-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The IUPAC name of N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine (CID 177006414) is N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine.
What is the SMILES notation for N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The canonical SMILES for N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine is CN1CCC2(CCC2NC2CC(C)(F)C2)C1.
What is the InChIKey of N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The InChIKey is ROOSUUBJBKYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c1-12(14)7-10(8-12)15-11-3-4-13(11)5-6-16(2)9-13/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-methylcyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine is sourced from PubChem (CID 177006414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).