3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane

C23H49N3O — CID 172630616

IUPAC3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane
SMILESCC.CC.CC.CN1CCC2(CC1)COC(CN1CC3(CCNCC3)C1)C2
InChIInChI=1S/C17H31N3O.3C2H6/c1-19-8-4-16(5-9-19)10-15(21-14-16)11-20-12-17(13-20)2-6-18-7-3-17;3*1-2/h15,18H,2-14H2,1H3;3*1-2H3
InChIKeyMMOPGXNWEUCUCC-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.25
Rot. Bonds2

About 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane

3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane (PubChem CID 172630616) has the molecular formula C23H49N3O and a molecular weight of 383.67 g/mol. Its IUPAC name is 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane.

Molecular Properties

Compound Name3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane
PubChem CID172630616
Molecular FormulaC23H49N3O
Molecular Weight383.67 g/mol
Exact Mass383.39
IUPAC Name3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane
SMILESCC.CC.CC.CN1CCC2(CC1)COC(CN1CC3(CCNCC3)C1)C2
InChIInChI=1S/C17H31N3O.3C2H6/c1-19-8-4-16(5-9-19)10-15(21-14-16)11-20-12-17(13-20)2-6-18-7-3-17;3*1-2/h15,18H,2-14H2,1H3;3*1-2H3
InChIKeyMMOPGXNWEUCUCC-UHFFFAOYSA-N
XLogP4.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane?
The IUPAC name of 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane (CID 172630616) is 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane.
What is the SMILES notation for 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane?
The canonical SMILES for 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane is CC.CC.CC.CN1CCC2(CC1)COC(CN1CC3(CCNCC3)C1)C2.
What is the InChIKey of 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane?
The InChIKey is MMOPGXNWEUCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.3C2H6/c1-19-8-4-16(5-9-19)10-15(21-14-16)11-20-12-17(13-20)2-6-18-7-3-17;3*1-2/h15,18H,2-14H2,1H3;3*1-2H3.
What are the key properties of 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane?
3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane has a molecular weight of 383.67 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane is sourced from PubChem (CID 172630616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).