5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane

C15H22N2 — CID 166899276

IUPAC5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CC3(CCCCN3C)C2)cc1
InChIInChI=1S/C15H22N2/c1-13-5-7-14(8-6-13)17-11-15(12-17)9-3-4-10-16(15)2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFJMWCASWUGOPBI-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.67
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane

5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 166899276) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane
PubChem CID166899276
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CC3(CCCCN3C)C2)cc1
InChIInChI=1S/C15H22N2/c1-13-5-7-14(8-6-13)17-11-15(12-17)9-3-4-10-16(15)2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFJMWCASWUGOPBI-UHFFFAOYSA-N
XLogP2.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane (CID 166899276) is 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane is Cc1ccc(N2CC3(CCCCN3C)C2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is FJMWCASWUGOPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-5-7-14(8-6-13)17-11-15(12-17)9-3-4-10-16(15)2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane?
5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 230.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 166899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).