2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten

C18H36N2O2W — CID 176695388

IUPAC2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten
SMILESCC.CO.OC1CCC2(CC1)CN(CC1CC3(CNC3)C1)C2.[W]
InChIInChI=1S/C15H26N2O.C2H6.CH4O.W/c18-13-1-3-14(4-2-13)10-17(11-14)7-12-5-15(6-12)8-16-9-15;2*1-2;/h12-13,16,18H,1-11H2;1-2H3;2H,1H3;
InChIKeyPKFROARWWFKDDH-UHFFFAOYSA-N
MW496.34 g/mol
LogP1.86
Rot. Bonds2

About 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten

2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten (PubChem CID 176695388) has the molecular formula C18H36N2O2W and a molecular weight of 496.34 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten
PubChem CID176695388
Molecular FormulaC18H36N2O2W
Molecular Weight496.34 g/mol
Exact Mass496.23
IUPAC Name2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten
SMILESCC.CO.OC1CCC2(CC1)CN(CC1CC3(CNC3)C1)C2.[W]
InChIInChI=1S/C15H26N2O.C2H6.CH4O.W/c18-13-1-3-14(4-2-13)10-17(11-14)7-12-5-15(6-12)8-16-9-15;2*1-2;/h12-13,16,18H,1-11H2;1-2H3;2H,1H3;
InChIKeyPKFROARWWFKDDH-UHFFFAOYSA-N
XLogP1.86
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 106131726
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
CID 156546413
2-[2-(hydroxymethyl)-7-azaspiro[3.5]nonan-7-yl]-2-azaspiro[3.5]nonan-7-ol
CID 166713195
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
CID 171069732
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
ethane;7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 177021220

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten (CID 176695388) is 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten is CC.CO.OC1CCC2(CC1)CN(CC1CC3(CNC3)C1)C2.[W].
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten?
The InChIKey is PKFROARWWFKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.C2H6.CH4O.W/c18-13-1-3-14(4-2-13)10-17(11-14)7-12-5-15(6-12)8-16-9-15;2*1-2;/h12-13,16,18H,1-11H2;1-2H3;2H,1H3;.
What are the key properties of 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten?
2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten has a molecular weight of 496.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-azaspiro[3.5]nonan-7-ol;ethane;methanol;tungsten is sourced from PubChem (CID 176695388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).