9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane

C20H28N2O — CID 126822063

IUPAC9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cc(C)c2cc(CN3CCC4(CCOCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N2O/c1-15-11-16(2)18-13-17(21-19(18)12-15)14-22-7-3-20(4-8-22)5-9-23-10-6-20/h11-13,21H,3-10,14H2,1-2H3
InChIKeyVNQCOPZQZZTPAG-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.18
Rot. Bonds2

About 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane

9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 126822063) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID126822063
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cc(C)c2cc(CN3CCC4(CCOCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N2O/c1-15-11-16(2)18-13-17(21-19(18)12-15)14-22-7-3-20(4-8-22)5-9-23-10-6-20/h11-13,21H,3-10,14H2,1-2H3
InChIKeyVNQCOPZQZZTPAG-UHFFFAOYSA-N
XLogP4.18
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane with MolForge

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Related Compounds

FH 510
CID 135554
(4aR,11R,11aS)-11-methyl-2-[3-(oxan-4-yl)propyl]-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 11561126
(4aR,11R,11aS)-11-methyl-2-[2-(oxan-4-yl)ethyl]-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 57393332
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N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine
CID 118475595
N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
CID 709293
Vintoperol
CID 6917973
[1-[(3,5-dimethyl-1H-indol-2-yl)methyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16190082
(4aR,11R,11aS)-11-methyl-2-[4-(oxan-4-yl)butyl]-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 57403785
6-fluoro-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168296361
2-(Methoxymethyl)-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazole
CID 10424437
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CID 12361820

Frequently Asked Questions

What is the IUPAC name of 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 126822063) is 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane is Cc1cc(C)c2cc(CN3CCC4(CCOCC4)CC3)[nH]c2c1.
What is the InChIKey of 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is VNQCOPZQZZTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15-11-16(2)18-13-17(21-19(18)12-15)14-22-7-3-20(4-8-22)5-9-23-10-6-20/h11-13,21H,3-10,14H2,1-2H3.
What are the key properties of 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane?
9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 312.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 126822063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).