3-methyl-3-azaspiro[5.12]octadecane

C18H35N — CID 71021122

IUPAC3-methyl-3-azaspiro[5.12]octadecane
SMILESCN1CCC2(CCCCCCCCCCCC2)CC1
InChIInChI=1S/C18H35N/c1-19-16-14-18(15-17-19)12-10-8-6-4-2-3-5-7-9-11-13-18/h2-17H2,1H3
InChIKeyFJYLAENPDCHDPP-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.39
Rot. Bonds

About 3-methyl-3-azaspiro[5.12]octadecane

3-methyl-3-azaspiro[5.12]octadecane (PubChem CID 71021122) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 3-methyl-3-azaspiro[5.12]octadecane.

Molecular Properties

Compound Name3-methyl-3-azaspiro[5.12]octadecane
PubChem CID71021122
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name3-methyl-3-azaspiro[5.12]octadecane
SMILESCN1CCC2(CCCCCCCCCCCC2)CC1
InChIInChI=1S/C18H35N/c1-19-16-14-18(15-17-19)12-10-8-6-4-2-3-5-7-9-11-13-18/h2-17H2,1H3
InChIKeyFJYLAENPDCHDPP-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3-azaspiro[5.12]octadecane 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 3-methyl-3-azaspiro[5.12]octadecane?
The IUPAC name of 3-methyl-3-azaspiro[5.12]octadecane (CID 71021122) is 3-methyl-3-azaspiro[5.12]octadecane.
What is the SMILES notation for 3-methyl-3-azaspiro[5.12]octadecane?
The canonical SMILES for 3-methyl-3-azaspiro[5.12]octadecane is CN1CCC2(CCCCCCCCCCCC2)CC1.
What is the InChIKey of 3-methyl-3-azaspiro[5.12]octadecane?
The InChIKey is FJYLAENPDCHDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-19-16-14-18(15-17-19)12-10-8-6-4-2-3-5-7-9-11-13-18/h2-17H2,1H3.
What are the key properties of 3-methyl-3-azaspiro[5.12]octadecane?
3-methyl-3-azaspiro[5.12]octadecane has a molecular weight of 265.48 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azaspiro[5.12]octadecane is sourced from PubChem (CID 71021122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).