3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane

C21H40N4 — CID 154973127

IUPAC3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCNCC2C2CN(C)CCC23CCN(C)CC3)CC1
InChIInChI=1S/C21H40N4/c1-23-11-5-20(6-12-23)4-10-22-16-18(20)19-17-25(3)15-9-21(19)7-13-24(2)14-8-21/h18-19,22H,4-17H2,1-3H3
InChIKeyMVXCHMCHYMJGNZ-UHFFFAOYSA-N
MW348.58 g/mol
LogP1.97
Rot. Bonds1

About 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane

3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 154973127) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID154973127
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCNCC2C2CN(C)CCC23CCN(C)CC3)CC1
InChIInChI=1S/C21H40N4/c1-23-11-5-20(6-12-23)4-10-22-16-18(20)19-17-25(3)15-9-21(19)7-13-24(2)14-8-21/h18-19,22H,4-17H2,1-3H3
InChIKeyMVXCHMCHYMJGNZ-UHFFFAOYSA-N
XLogP1.97
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane (CID 154973127) is 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane is CN1CCC2(CCNCC2C2CN(C)CCC23CCN(C)CC3)CC1.
What is the InChIKey of 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is MVXCHMCHYMJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-23-11-5-20(6-12-23)4-10-22-16-18(20)19-17-25(3)15-9-21(19)7-13-24(2)14-8-21/h18-19,22H,4-17H2,1-3H3.
What are the key properties of 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane?
3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 348.58 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 154973127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).