2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane

C17H31NO — CID 103161153

IUPAC2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC1(C)CCCC2(CNCC(CC3CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-16(2)8-5-9-17(12-16)13-18-11-15(19-17)10-14-6-3-4-7-14/h14-15,18H,3-13H2,1-2H3
InChIKeyASHWYGXYQNGOHI-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds2

About 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane

2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 103161153) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID103161153
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC1(C)CCCC2(CNCC(CC3CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-16(2)8-5-9-17(12-16)13-18-11-15(19-17)10-14-6-3-4-7-14/h14-15,18H,3-13H2,1-2H3
InChIKeyASHWYGXYQNGOHI-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane (CID 103161153) is 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane is CC1(C)CCCC2(CNCC(CC3CCCC3)O2)C1.
What is the InChIKey of 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is ASHWYGXYQNGOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2)8-5-9-17(12-16)13-18-11-15(19-17)10-14-6-3-4-7-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 265.44 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 103161153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).