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

C12H21FN2 — CID 177005739

IUPACN-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
SMILESCN1CCC2(CCC2NC2CC(F)C2)C1
InChIInChI=1S/C12H21FN2/c1-15-5-4-12(8-15)3-2-11(12)14-10-6-9(13)7-10/h9-11,14H,2-8H2,1H3
InChIKeyDCUCWKSKBJCMOM-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.56
Rot. Bonds2

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

N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine (PubChem CID 177005739) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
PubChem CID177005739
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC NameN-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine
SMILESCN1CCC2(CCC2NC2CC(F)C2)C1
InChIInChI=1S/C12H21FN2/c1-15-5-4-12(8-15)3-2-11(12)14-10-6-9(13)7-10/h9-11,14H,2-8H2,1H3
InChIKeyDCUCWKSKBJCMOM-UHFFFAOYSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The IUPAC name of N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine (CID 177005739) is N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine.
What is the SMILES notation for N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The canonical SMILES for N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine is CN1CCC2(CCC2NC2CC(F)C2)C1.
What is the InChIKey of N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
The InChIKey is DCUCWKSKBJCMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c1-15-5-4-12(8-15)3-2-11(12)14-10-6-9(13)7-10/h9-11,14H,2-8H2,1H3.
What are the key properties of N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine?
N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine has a molecular weight of 212.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-6-methyl-6-azaspiro[3.4]octan-3-amine is sourced from PubChem (CID 177005739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).