9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane

C16H31N — CID 79320901

IUPAC9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
SMILESCC(C)CC1CNCCC12CCCC(C)CC2
InChIInChI=1S/C16H31N/c1-13(2)11-15-12-17-10-9-16(15)7-4-5-14(3)6-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPIKSIRBWNRSWHP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds2

About 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane

9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane (PubChem CID 79320901) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
PubChem CID79320901
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
SMILESCC(C)CC1CNCCC12CCCC(C)CC2
InChIInChI=1S/C16H31N/c1-13(2)11-15-12-17-10-9-16(15)7-4-5-14(3)6-8-16/h13-15,17H,4-12H2,1-3H3
InChIKeyPIKSIRBWNRSWHP-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane 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 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane?
The IUPAC name of 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane (CID 79320901) is 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane?
The canonical SMILES for 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane is CC(C)CC1CNCCC12CCCC(C)CC2.
What is the InChIKey of 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane?
The InChIKey is PIKSIRBWNRSWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13(2)11-15-12-17-10-9-16(15)7-4-5-14(3)6-8-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane?
9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane has a molecular weight of 237.43 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79320901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).