(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine

C13H24F2N2 — CID 162492906

IUPAC(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)(C)N1CCC2(CC1)CCC(F)(F)[C@H]2N
InChIInChI=1S/C13H24F2N2/c1-11(2,3)17-8-6-12(7-9-17)4-5-13(14,15)10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1
InChIKeyPJDKBEGPFSLPMV-JTQLQIEISA-N
MW246.34 g/mol
LogP2.62
Rot. Bonds

About (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine

(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 162492906) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
PubChem CID162492906
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)(C)N1CCC2(CC1)CCC(F)(F)[C@H]2N
InChIInChI=1S/C13H24F2N2/c1-11(2,3)17-8-6-12(7-9-17)4-5-13(14,15)10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1
InChIKeyPJDKBEGPFSLPMV-JTQLQIEISA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine (CID 162492906) is (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine is CC(C)(C)N1CCC2(CC1)CCC(F)(F)[C@H]2N.
What is the InChIKey of (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine?
The InChIKey is PJDKBEGPFSLPMV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24F2N2/c1-11(2,3)17-8-6-12(7-9-17)4-5-13(14,15)10(12)16/h10H,4-9,16H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine?
(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 162492906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).