8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide

C11H18F3N3O — CID 138016428

IUPAC8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCCC(F)(F)F)CC12CCC2
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)4-5-16-9(18)17-6-8(15)10(7-17)2-1-3-10/h8H,1-7,15H2,(H,16,18)
InChIKeyIPNMWFDOIQVUTD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.46
Rot. Bonds2

About 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide

8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 138016428) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID138016428
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCCC(F)(F)F)CC12CCC2
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)4-5-16-9(18)17-6-8(15)10(7-17)2-1-3-10/h8H,1-7,15H2,(H,16,18)
InChIKeyIPNMWFDOIQVUTD-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide 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 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide (CID 138016428) is 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide is NC1CN(C(=O)NCCC(F)(F)F)CC12CCC2.
What is the InChIKey of 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is IPNMWFDOIQVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)4-5-16-9(18)17-6-8(15)10(7-17)2-1-3-10/h8H,1-7,15H2,(H,16,18).
What are the key properties of 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide?
8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 138016428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).