2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane

C16H23N — CID 175699539

IUPAC2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
SMILES[2H]N1CC2(CCC(Cc3cccc(C)c3)CC2)C1
InChIInChI=1S/C16H23N/c1-13-3-2-4-15(9-13)10-14-5-7-16(8-6-14)11-17-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3/i/hD
InChIKeyYEWIIRIDRJSXQN-DYCDLGHISA-N
MW230.37 g/mol
LogP3.32
Rot. Bonds2

About 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane

2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane (PubChem CID 175699539) has the molecular formula C16H23N and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
PubChem CID175699539
Molecular FormulaC16H23N
Molecular Weight230.37 g/mol
Exact Mass230.19
IUPAC Name2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
SMILES[2H]N1CC2(CCC(Cc3cccc(C)c3)CC2)C1
InChIInChI=1S/C16H23N/c1-13-3-2-4-15(9-13)10-14-5-7-16(8-6-14)11-17-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3/i/hD
InChIKeyYEWIIRIDRJSXQN-DYCDLGHISA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
CID 170784978
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
2,2-dimethyl-4-[(3-methylphenyl)methyl]oxane
CID 90245552
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
CID 83819660

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane?
The IUPAC name of 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane (CID 175699539) is 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane is [2H]N1CC2(CCC(Cc3cccc(C)c3)CC2)C1.
What is the InChIKey of 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane?
The InChIKey is YEWIIRIDRJSXQN-DYCDLGHISA-N. The full InChI is InChI=1S/C16H23N/c1-13-3-2-4-15(9-13)10-14-5-7-16(8-6-14)11-17-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3/i/hD.
What are the key properties of 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane?
2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane has a molecular weight of 230.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 175699539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).