8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane

C14H21N3 — CID 163586230

IUPAC8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CNCN2c1ccccc1
InChIInChI=1S/C14H21N3/c1-16-9-7-14(8-10-16)11-15-12-17(14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyGLSFCQSESRTPHC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.52
Rot. Bonds1

About 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane

8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane (PubChem CID 163586230) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane
PubChem CID163586230
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CNCN2c1ccccc1
InChIInChI=1S/C14H21N3/c1-16-9-7-14(8-10-16)11-15-12-17(14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyGLSFCQSESRTPHC-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane?
The IUPAC name of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane (CID 163586230) is 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane is CN1CCC2(CC1)CNCN2c1ccccc1.
What is the InChIKey of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane?
The InChIKey is GLSFCQSESRTPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-9-7-14(8-10-16)11-15-12-17(14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane?
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane is sourced from PubChem (CID 163586230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).