10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

C26H50N4 — CID 146199835

IUPAC10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC2(CCNC(CC(C)(C)CN3CC4(CCNCC4)C3)C2)CC1
InChIInChI=1S/C26H50N4/c1-23(2,3)18-29-14-9-25(10-15-29)8-13-28-22(17-25)16-24(4,5)19-30-20-26(21-30)6-11-27-12-7-26/h22,27-28H,6-21H2,1-5H3
InChIKeyYCZMAOXXXQEZOK-UHFFFAOYSA-N
MW418.71 g/mol
LogP3.97
Rot. Bonds5

About 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 146199835) has the molecular formula C26H50N4 and a molecular weight of 418.71 g/mol. Its IUPAC name is 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
PubChem CID146199835
Molecular FormulaC26H50N4
Molecular Weight418.71 g/mol
Exact Mass418.40
IUPAC Name10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC2(CCNC(CC(C)(C)CN3CC4(CCNCC4)C3)C2)CC1
InChIInChI=1S/C26H50N4/c1-23(2,3)18-29-14-9-25(10-15-29)8-13-28-22(17-25)16-24(4,5)19-30-20-26(21-30)6-11-27-12-7-26/h22,27-28H,6-21H2,1-5H3
InChIKeyYCZMAOXXXQEZOK-UHFFFAOYSA-N
XLogP3.97
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (CID 146199835) is 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is CC(C)(C)CN1CCC2(CCNC(CC(C)(C)CN3CC4(CCNCC4)C3)C2)CC1.
What is the InChIKey of 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is YCZMAOXXXQEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4/c1-23(2,3)18-29-14-9-25(10-15-29)8-13-28-22(17-25)16-24(4,5)19-30-20-26(21-30)6-11-27-12-7-26/h22,27-28H,6-21H2,1-5H3.
What are the key properties of 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 418.71 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropyl]-3-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 146199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).