2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline

C20H27N3O — CID 131671702

IUPAC2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
SMILESCOCC1CCN(C)C2(C1)CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C20H27N3O/c1-22-10-9-16(13-24-2)11-20(22)14-23(15-20)12-18-8-7-17-5-3-4-6-19(17)21-18/h3-8,16H,9-15H2,1-2H3
InChIKeyGJNUMUMHJUZHRV-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.78
Rot. Bonds4

About 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline

2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline (PubChem CID 131671702) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
PubChem CID131671702
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
SMILESCOCC1CCN(C)C2(C1)CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C20H27N3O/c1-22-10-9-16(13-24-2)11-20(22)14-23(15-20)12-18-8-7-17-5-3-4-6-19(17)21-18/h3-8,16H,9-15H2,1-2H3
InChIKeyGJNUMUMHJUZHRV-UHFFFAOYSA-N
XLogP2.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(methoxymethyl)-5-methyl-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171693362
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124817158
2-[(2-fluorophenyl)methyl]-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155842720
3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131639788
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
8-(methoxymethyl)-5-methyl-2-(6-methylpyridazin-3-yl)-2,5-diazaspiro[3.5]nonane
CID 133137703
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
5-methyl-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131644582
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline?
The IUPAC name of 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline (CID 131671702) is 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline.
What is the SMILES notation for 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline?
The canonical SMILES for 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline is COCC1CCN(C)C2(C1)CN(Cc1ccc3ccccc3n1)C2.
What is the InChIKey of 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline?
The InChIKey is GJNUMUMHJUZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22-10-9-16(13-24-2)11-20(22)14-23(15-20)12-18-8-7-17-5-3-4-6-19(17)21-18/h3-8,16H,9-15H2,1-2H3.
What are the key properties of 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline?
2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline has a molecular weight of 325.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline is sourced from PubChem (CID 131671702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).