2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane

C17H31NO2 — CID 103161160

IUPAC2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCCC1CC2(CCO1)CNCC(CC1CCCC1)O2
InChIInChI=1S/C17H31NO2/c1-2-5-15-11-17(8-9-19-15)13-18-12-16(20-17)10-14-6-3-4-7-14/h14-16,18H,2-13H2,1H3
InChIKeyHVUSMLKPEGRVKH-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds4

About 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane

2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 103161160) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID103161160
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCCC1CC2(CCO1)CNCC(CC1CCCC1)O2
InChIInChI=1S/C17H31NO2/c1-2-5-15-11-17(8-9-19-15)13-18-12-16(20-17)10-14-6-3-4-7-14/h14-16,18H,2-13H2,1H3
InChIKeyHVUSMLKPEGRVKH-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane
CID 103565278
2-(cyclopentylmethyl)-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 103161153
2-(cyclopentylmethyl)-9-propan-2-yl-1-oxa-4-azaspiro[5.6]dodecane
CID 103161203
10-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122462
2-ethyl-9-propyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122152
2-(cyclobutylmethyl)-6-(cyclopentylmethyl)-2-methylmorpholine
CID 103161226
2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122724
2-(cyclopentylmethyl)morpholine
CID 55278350
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612
(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
6-(cyclopentylmethyl)-2-(methoxymethyl)-2-propan-2-ylmorpholine
CID 103161204
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane (CID 103161160) is 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane is CCCC1CC2(CCO1)CNCC(CC1CCCC1)O2.
What is the InChIKey of 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is HVUSMLKPEGRVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-5-15-11-17(8-9-19-15)13-18-12-16(20-17)10-14-6-3-4-7-14/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane?
2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 281.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 103161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).