2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane

C19H26N2O — CID 120906699

IUPAC2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCc1oc2ccccc2c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C19H26N2O/c1-2-17-16(15-5-3-4-6-18(15)22-17)13-21-12-9-19(14-21)7-10-20-11-8-19/h3-6,20H,2,7-14H2,1H3
InChIKeyOHUHGWGNCLVDLY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.57
Rot. Bonds3

About 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906699) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906699
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCc1oc2ccccc2c1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C19H26N2O/c1-2-17-16(15-5-3-4-6-18(15)22-17)13-21-12-9-19(14-21)7-10-20-11-8-19/h3-6,20H,2,7-14H2,1H3
InChIKeyOHUHGWGNCLVDLY-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 63160099
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
CID 112804969
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154906463
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906699) is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane is CCc1oc2ccccc2c1CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is OHUHGWGNCLVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-17-16(15-5-3-4-6-18(15)22-17)13-21-12-9-19(14-21)7-10-20-11-8-19/h3-6,20H,2,7-14H2,1H3.
What are the key properties of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 298.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).