2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane

C24H44N2O — CID 155095682

IUPAC2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)N1CC2CCCC(CC(C)N3CCC4(CCOCC4)C3)CC(C2)C1
InChIInChI=1S/C24H44N2O/c1-19(2)26-16-22-6-4-5-21(14-23(15-22)17-26)13-20(3)25-10-7-24(18-25)8-11-27-12-9-24/h19-23H,4-18H2,1-3H3
InChIKeyGPFJODAMZAWAMK-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.80
Rot. Bonds4

About 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane

2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 155095682) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID155095682
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)N1CC2CCCC(CC(C)N3CCC4(CCOCC4)C3)CC(C2)C1
InChIInChI=1S/C24H44N2O/c1-19(2)26-16-22-6-4-5-21(14-23(15-22)17-26)13-20(3)25-10-7-24(18-25)8-11-27-12-9-24/h19-23H,4-18H2,1-3H3
InChIKeyGPFJODAMZAWAMK-UHFFFAOYSA-N
XLogP4.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane (CID 155095682) is 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane is CC(C)N1CC2CCCC(CC(C)N3CCC4(CCOCC4)C3)CC(C2)C1.
What is the InChIKey of 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is GPFJODAMZAWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O/c1-19(2)26-16-22-6-4-5-21(14-23(15-22)17-26)13-20(3)25-10-7-24(18-25)8-11-27-12-9-24/h19-23H,4-18H2,1-3H3.
What are the key properties of 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane?
2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 376.63 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 155095682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).