2-methyl-7-aza-2-azoniaspiro[4.4]nonane

C8H17N2+ — CID 173145851

IUPAC2-methyl-7-aza-2-azoniaspiro[4.4]nonane
SMILESC[NH+]1CCC2(CCNC2)C1
InChIInChI=1S/C8H16N2/c1-10-5-3-8(7-10)2-4-9-6-8/h9H,2-7H2,1H3/p+1
InChIKeyOQHQOOLVQDEIGL-UHFFFAOYSA-O
MW141.24 g/mol
LogP-1.12
Rot. Bonds

About 2-methyl-7-aza-2-azoniaspiro[4.4]nonane

2-methyl-7-aza-2-azoniaspiro[4.4]nonane (PubChem CID 173145851) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-7-aza-2-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name2-methyl-7-aza-2-azoniaspiro[4.4]nonane
PubChem CID173145851
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name2-methyl-7-aza-2-azoniaspiro[4.4]nonane
SMILESC[NH+]1CCC2(CCNC2)C1
InChIInChI=1S/C8H16N2/c1-10-5-3-8(7-10)2-4-9-6-8/h9H,2-7H2,1H3/p+1
InChIKeyOQHQOOLVQDEIGL-UHFFFAOYSA-O
XLogP-1.12
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-diazaspiro[4.5]decane;ethane
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2,7-diazaspiro[3.4]octane;ethane
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2,7-diazaspiro[3.4]octane;ethane
CID 171068778
2,7-diazaspiro[3.4]octane;propane
CID 177136819
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
(5R)-3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane
CID 98042391
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
2,9-diazaspiro[4.5]decane;methane
CID 143578856
2-azaspiro[4.5]decane;ethene
CID 171834081
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
8-thia-3,11-diazaspiro[5.6]dodecane
CID 23135364
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-aza-2-azoniaspiro[4.4]nonane?
The IUPAC name of 2-methyl-7-aza-2-azoniaspiro[4.4]nonane (CID 173145851) is 2-methyl-7-aza-2-azoniaspiro[4.4]nonane.
What is the SMILES notation for 2-methyl-7-aza-2-azoniaspiro[4.4]nonane?
The canonical SMILES for 2-methyl-7-aza-2-azoniaspiro[4.4]nonane is C[NH+]1CCC2(CCNC2)C1.
What is the InChIKey of 2-methyl-7-aza-2-azoniaspiro[4.4]nonane?
The InChIKey is OQHQOOLVQDEIGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2/c1-10-5-3-8(7-10)2-4-9-6-8/h9H,2-7H2,1H3/p+1.
What are the key properties of 2-methyl-7-aza-2-azoniaspiro[4.4]nonane?
2-methyl-7-aza-2-azoniaspiro[4.4]nonane has a molecular weight of 141.24 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-aza-2-azoniaspiro[4.4]nonane is sourced from PubChem (CID 173145851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).