(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine

C13H24F2N2 — CID 134540153

IUPAC(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine
SMILESCCN(CC)[C@@H](C)CN1CC2(CCC2(F)F)C1
InChIInChI=1S/C13H24F2N2/c1-4-17(5-2)11(3)8-16-9-12(10-16)6-7-13(12,14)15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyHPQNIIBHFZXMMA-NSHDSACASA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds5

About (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine

(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine (PubChem CID 134540153) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine
PubChem CID134540153
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine
SMILESCCN(CC)[C@@H](C)CN1CC2(CCC2(F)F)C1
InChIInChI=1S/C13H24F2N2/c1-4-17(5-2)11(3)8-16-9-12(10-16)6-7-13(12,14)15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyHPQNIIBHFZXMMA-NSHDSACASA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-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 (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine?
The IUPAC name of (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine (CID 134540153) is (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine.
What is the SMILES notation for (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine?
The canonical SMILES for (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine is CCN(CC)[C@@H](C)CN1CC2(CCC2(F)F)C1.
What is the InChIKey of (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine?
The InChIKey is HPQNIIBHFZXMMA-NSHDSACASA-N. The full InChI is InChI=1S/C13H24F2N2/c1-4-17(5-2)11(3)8-16-9-12(10-16)6-7-13(12,14)15/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine?
(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine is sourced from PubChem (CID 134540153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).