8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane

C15H23N2+ — CID 152824720

IUPAC8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
SMILESCc1ccc(N2CC[N+]3(CCCC3)CC2)cc1
InChIInChI=1S/C15H23N2/c1-14-4-6-15(7-5-14)16-8-12-17(13-9-16)10-2-3-11-17/h4-7H,2-3,8-13H2,1H3/q+1
InChIKeySUTXTGKVJUKRAL-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.43
Rot. Bonds1

About 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane

8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 152824720) has the molecular formula C15H23N2+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
PubChem CID152824720
Molecular FormulaC15H23N2+
Molecular Weight231.36 g/mol
Exact Mass231.19
IUPAC Name8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
SMILESCc1ccc(N2CC[N+]3(CCCC3)CC2)cc1
InChIInChI=1S/C15H23N2/c1-14-4-6-15(7-5-14)16-8-12-17(13-9-16)10-2-3-11-17/h4-7H,2-3,8-13H2,1H3/q+1
InChIKeySUTXTGKVJUKRAL-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 142602352
1-methyl-4-(4-methylphenyl)-1-oxidopiperazin-1-ium
CID 59343298
8-(4-isocyanophenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 155643143
1-methyl-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]piperazin-1-ium
CID 118248907
1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
CID 144727162
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
8-(3-methyl-5-nitrophenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 142602354
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane (CID 152824720) is 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane is Cc1ccc(N2CC[N+]3(CCCC3)CC2)cc1.
What is the InChIKey of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is SUTXTGKVJUKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2/c1-14-4-6-15(7-5-14)16-8-12-17(13-9-16)10-2-3-11-17/h4-7H,2-3,8-13H2,1H3/q+1.
What are the key properties of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?
8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 231.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 152824720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).