2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane

C19H28N2O3 — CID 133142916

IUPAC2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(Cc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C19H28N2O3/c1-3-22-11-16-6-7-20(2)19(9-16)12-21(13-19)10-15-4-5-17-18(8-15)24-14-23-17/h4-5,8,16H,3,6-7,9-14H2,1-2H3
InChIKeyUXNXVTOCINNJFB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.35
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane

2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (PubChem CID 133142916) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
PubChem CID133142916
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(Cc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C19H28N2O3/c1-3-22-11-16-6-7-20(2)19(9-16)12-21(13-19)10-15-4-5-17-18(8-15)24-14-23-17/h4-5,8,16H,3,6-7,9-14H2,1-2H3
InChIKeyUXNXVTOCINNJFB-UHFFFAOYSA-N
XLogP2.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-2-(1,3-benzodioxol-5-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124814715
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739314
(7S)-5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390592
5-methyl-8-(pyridin-4-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678470
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
(4R,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487085
(4S,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487490
(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789023
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677753

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (CID 133142916) is 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is CCOCC1CCN(C)C2(C1)CN(Cc1ccc3c(c1)OCO3)C2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is UXNXVTOCINNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-22-11-16-6-7-20(2)19(9-16)12-21(13-19)10-15-4-5-17-18(8-15)24-14-23-17/h4-5,8,16H,3,6-7,9-14H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 332.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 133142916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).