3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane

C21H40N4 — CID 138603883

IUPAC3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(CN1CCC2(CCCN(C)C2)C1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C21H40N4/c1-19(25-14-8-20(9-15-25)5-10-22-11-6-20)16-24-13-7-21(18-24)4-3-12-23(2)17-21/h19,22H,3-18H2,1-2H3
InChIKeyGBTIIINRTJTCTJ-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.26
Rot. Bonds3

About 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane

3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 138603883) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID138603883
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(CN1CCC2(CCCN(C)C2)C1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C21H40N4/c1-19(25-14-8-20(9-15-25)5-10-22-11-6-20)16-24-13-7-21(18-24)4-3-12-23(2)17-21/h19,22H,3-18H2,1-2H3
InChIKeyGBTIIINRTJTCTJ-UHFFFAOYSA-N
XLogP2.26
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane (CID 138603883) is 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane is CC(CN1CCC2(CCCN(C)C2)C1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is GBTIIINRTJTCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-19(25-14-8-20(9-15-25)5-10-22-11-6-20)16-24-13-7-21(18-24)4-3-12-23(2)17-21/h19,22H,3-18H2,1-2H3.
What are the key properties of 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 348.58 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138603883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).