1-(9-methylspiro[5.5]undecan-3-yl)azetidine

C15H27N — CID 90712443

IUPAC1-(9-methylspiro[5.5]undecan-3-yl)azetidine
SMILESCC1CCC2(CC1)CCC(N1CCC1)CC2
InChIInChI=1S/C15H27N/c1-13-3-7-15(8-4-13)9-5-14(6-10-15)16-11-2-12-16/h13-14H,2-12H2,1H3
InChIKeyXFRCWJSDLPVIMM-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.83
Rot. Bonds1

About 1-(9-methylspiro[5.5]undecan-3-yl)azetidine

1-(9-methylspiro[5.5]undecan-3-yl)azetidine (PubChem CID 90712443) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(9-methylspiro[5.5]undecan-3-yl)azetidine.

Molecular Properties

Compound Name1-(9-methylspiro[5.5]undecan-3-yl)azetidine
PubChem CID90712443
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(9-methylspiro[5.5]undecan-3-yl)azetidine
SMILESCC1CCC2(CC1)CCC(N1CCC1)CC2
InChIInChI=1S/C15H27N/c1-13-3-7-15(8-4-13)9-5-14(6-10-15)16-11-2-12-16/h13-14H,2-12H2,1H3
InChIKeyXFRCWJSDLPVIMM-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-3-(1-sulfanylpiperidin-4-yl)-3-azaspiro[5.5]undecane
CID 166981334
3,9-dimethylspiro[5.5]undecane
CID 20825106
7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
CID 170371772
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
3-methylspiro[5.6]dodecane
CID 143797283
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
ethane;6-methylspiro[2.5]octane
CID 142110397
4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
CID 107408054
1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 176968361
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
7-cyclopropyl-2-methyl-7-azaspiro[3.5]nonane
CID 164867891

Frequently Asked Questions

What is the IUPAC name of 1-(9-methylspiro[5.5]undecan-3-yl)azetidine?
The IUPAC name of 1-(9-methylspiro[5.5]undecan-3-yl)azetidine (CID 90712443) is 1-(9-methylspiro[5.5]undecan-3-yl)azetidine.
What is the SMILES notation for 1-(9-methylspiro[5.5]undecan-3-yl)azetidine?
The canonical SMILES for 1-(9-methylspiro[5.5]undecan-3-yl)azetidine is CC1CCC2(CC1)CCC(N1CCC1)CC2.
What is the InChIKey of 1-(9-methylspiro[5.5]undecan-3-yl)azetidine?
The InChIKey is XFRCWJSDLPVIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13-3-7-15(8-4-13)9-5-14(6-10-15)16-11-2-12-16/h13-14H,2-12H2,1H3.
What are the key properties of 1-(9-methylspiro[5.5]undecan-3-yl)azetidine?
1-(9-methylspiro[5.5]undecan-3-yl)azetidine has a molecular weight of 221.39 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methylspiro[5.5]undecan-3-yl)azetidine is sourced from PubChem (CID 90712443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).