2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene

C16H22N2 — CID 133483282

IUPAC2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
SMILESCc1cccc(N2CCCC3(CC=CCC3)C2)n1
InChIInChI=1S/C16H22N2/c1-14-7-5-8-15(17-14)18-12-6-11-16(13-18)9-3-2-4-10-16/h2-3,5,7-8H,4,6,9-13H2,1H3
InChIKeyUQFATGXHFWICPK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.72
Rot. Bonds1

About 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene

2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene (PubChem CID 133483282) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
PubChem CID133483282
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
SMILESCc1cccc(N2CCCC3(CC=CCC3)C2)n1
InChIInChI=1S/C16H22N2/c1-14-7-5-8-15(17-14)18-12-6-11-16(13-18)9-3-2-4-10-16/h2-3,5,7-8H,4,6,9-13H2,1H3
InChIKeyUQFATGXHFWICPK-UHFFFAOYSA-N
XLogP3.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 134073864
2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
CID 133460813
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479
2-(3,3-dimethylazetidin-1-yl)-6-methylpyridine
CID 142297268
3,3-dimethyl-1-(6-methyl-2-pyridinyl)piperazine
CID 82993443
2-methyl-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155842713
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 118741130
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827028
N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139260
3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile
CID 56790656

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene (CID 133483282) is 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene is Cc1cccc(N2CCCC3(CC=CCC3)C2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene?
The InChIKey is UQFATGXHFWICPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14-7-5-8-15(17-14)18-12-6-11-16(13-18)9-3-2-4-10-16/h2-3,5,7-8H,4,6,9-13H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene?
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene has a molecular weight of 242.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 133483282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).