10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane

C18H26N2O — CID 64951147

IUPAC10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
SMILESc1ccc2c(c1)CC(CN1CCCNC3(CCCC3)C1)O2
InChIInChI=1S/C18H26N2O/c1-2-7-17-15(6-1)12-16(21-17)13-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,16,19H,3-5,8-14H2
InChIKeyFYKBCCYMIKPVCK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.60
Rot. Bonds2

About 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane

10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 64951147) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
PubChem CID64951147
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
SMILESc1ccc2c(c1)CC(CN1CCCNC3(CCCC3)C1)O2
InChIInChI=1S/C18H26N2O/c1-2-7-17-15(6-1)12-16(21-17)13-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,16,19H,3-5,8-14H2
InChIKeyFYKBCCYMIKPVCK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(2,3-dihydro-1H-inden-2-yl)-6,10-diazaspiro[4.6]undecane
CID 107854029
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
CID 66364587
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
CID 66364745
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane (CID 64951147) is 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane is c1ccc2c(c1)CC(CN1CCCNC3(CCCC3)C1)O2.
What is the InChIKey of 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is FYKBCCYMIKPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-7-17-15(6-1)12-16(21-17)13-20-11-5-10-19-18(14-20)8-3-4-9-18/h1-2,6-7,16,19H,3-5,8-14H2.
What are the key properties of 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane?
10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 286.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64951147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).