3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane

C16H30N2 — CID 82012901

IUPAC3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane
SMILESCC1(C)CC(N2CCC3(CCCCC3)CC2)CN1
InChIInChI=1S/C16H30N2/c1-15(2)12-14(13-17-15)18-10-8-16(9-11-18)6-4-3-5-7-16/h14,17H,3-13H2,1-2H3
InChIKeyFWFRWXOCTQMSLD-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds1

About 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane

3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane (PubChem CID 82012901) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane
PubChem CID82012901
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane
SMILESCC1(C)CC(N2CCC3(CCCCC3)CC2)CN1
InChIInChI=1S/C16H30N2/c1-15(2)12-14(13-17-15)18-10-8-16(9-11-18)6-4-3-5-7-16/h14,17H,3-13H2,1-2H3
InChIKeyFWFRWXOCTQMSLD-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,5-dimethylpyrrolidin-3-yl)-1,4-oxazepane
CID 82014639
1-(5,5-dimethylpyrrolidin-3-yl)-3-methylpiperidine
CID 82014127
1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117019008
8-pyrrolidin-3-yl-8-azaspiro[4.5]decane
CID 63160445
1-[4-(5,5-dimethylpyrrolidin-3-yl)piperazin-1-yl]propan-1-one
CID 115269171
3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 82013066
(1S,9Z)-5-[(3S)-5,5-dimethylpyrrolidin-3-yl]-1,10,13-trimethyl-5-azabicyclo[10.1.0]tridec-9-ene
CID 139423545
1-tert-butyl-4-(6,6-dimethylpiperidin-3-yl)piperazine
CID 117021722
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
3-(8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 79643020
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane (CID 82012901) is 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane is CC1(C)CC(N2CCC3(CCCCC3)CC2)CN1.
What is the InChIKey of 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane?
The InChIKey is FWFRWXOCTQMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2)12-14(13-17-15)18-10-8-16(9-11-18)6-4-3-5-7-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane?
3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane has a molecular weight of 250.43 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylpyrrolidin-3-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 82012901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).