8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane

C16H29NO2 — CID 58930693

IUPAC8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC(N2CCC3(CC2)OCCO3)CC1(C)C
InChIInChI=1S/C16H29NO2/c1-14(2)11-13(12-15(14,3)4)17-7-5-16(6-8-17)18-9-10-19-16/h13H,5-12H2,1-4H3
InChIKeyBSZMVSGSPIQZCP-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.04
Rot. Bonds1

About 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 58930693) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID58930693
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC(N2CCC3(CC2)OCCO3)CC1(C)C
InChIInChI=1S/C16H29NO2/c1-14(2)11-13(12-15(14,3)4)17-7-5-16(6-8-17)18-9-10-19-16/h13H,5-12H2,1-4H3
InChIKeyBSZMVSGSPIQZCP-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 131872684
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103738480
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263214
1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 66204059
7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
CID 143049086
CID 59303836
CID 59303836
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine
CID 79672192

Frequently Asked Questions

What is the IUPAC name of 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 58930693) is 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane is CC1(C)CC(N2CCC3(CC2)OCCO3)CC1(C)C.
What is the InChIKey of 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is BSZMVSGSPIQZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2)11-13(12-15(14,3)4)17-7-5-16(6-8-17)18-9-10-19-16/h13H,5-12H2,1-4H3.
What are the key properties of 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 267.41 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 58930693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).