3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane

C17H32N2 — CID 176984971

IUPAC3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(CC1CNC1)CC2
InChIInChI=1S/C17H32N2/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15/h14-16,18H,3-13H2,1-2H3
InChIKeyOGPPBNDQLGFYOK-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.13
Rot. Bonds3

About 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane

3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane (PubChem CID 176984971) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
PubChem CID176984971
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(CC1CNC1)CC2
InChIInChI=1S/C17H32N2/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15/h14-16,18H,3-13H2,1-2H3
InChIKeyOGPPBNDQLGFYOK-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
CID 176984970
7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
CID 170063822
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane (CID 176984971) is 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane is CC(C)C1CCC2(CC1)CCN(CC1CNC1)CC2.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane?
The InChIKey is OGPPBNDQLGFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)16-3-5-17(6-4-16)7-9-19(10-8-17)13-15-11-18-12-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane?
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane has a molecular weight of 264.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 176984971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).