7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane

C18H26N2O — CID 68966400

IUPAC7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC1(C)Cc2cccc(CN3CCC4(CC3)CNC4)c2O1
InChIInChI=1S/C18H26N2O/c1-17(2)10-14-4-3-5-15(16(14)21-17)11-20-8-6-18(7-9-20)12-19-13-18/h3-5,19H,6-13H2,1-2H3
InChIKeyFZBGIGAQZOIUJC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.59
Rot. Bonds2

About 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane

7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 68966400) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID68966400
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC1(C)Cc2cccc(CN3CCC4(CC3)CNC4)c2O1
InChIInChI=1S/C18H26N2O/c1-17(2)10-14-4-3-5-15(16(14)21-17)11-20-8-6-18(7-9-20)12-19-13-18/h3-5,19H,6-13H2,1-2H3
InChIKeyFZBGIGAQZOIUJC-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
(3S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95720126
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56895548
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115299994
1,6-dihydrocyclohepta[b]pyrrol-3-yl-[9-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 143424318
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825901
[4-[9-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]anilino] 2,2,2-trifluoroacetate
CID 87639134
[9-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylimidazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 68969472

Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 68966400) is 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane is CC1(C)Cc2cccc(CN3CCC4(CC3)CNC4)c2O1.
What is the InChIKey of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is FZBGIGAQZOIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2)10-14-4-3-5-15(16(14)21-17)11-20-8-6-18(7-9-20)12-19-13-18/h3-5,19H,6-13H2,1-2H3.
What are the key properties of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane?
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 286.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 68966400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).