4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane

C23H44N4 — CID 134482133

IUPAC4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane
SMILESCC(C)N1CCCC2(CC(CC(C)N3CCCC4(CCCN4)C3)CCN2)C1
InChIInChI=1S/C23H44N4/c1-19(2)26-13-6-10-23(18-26)16-21(7-12-25-23)15-20(3)27-14-5-9-22(17-27)8-4-11-24-22/h19-21,24-25H,4-18H2,1-3H3
InChIKeyJNQCHPBZEOWAPH-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.23
Rot. Bonds4

About 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane

4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane (PubChem CID 134482133) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane
PubChem CID134482133
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane
SMILESCC(C)N1CCCC2(CC(CC(C)N3CCCC4(CCCN4)C3)CCN2)C1
InChIInChI=1S/C23H44N4/c1-19(2)26-13-6-10-23(18-26)16-21(7-12-25-23)15-20(3)27-14-5-9-22(17-27)8-4-11-24-22/h19-21,24-25H,4-18H2,1-3H3
InChIKeyJNQCHPBZEOWAPH-UHFFFAOYSA-N
XLogP3.23
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane (CID 134482133) is 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane is CC(C)N1CCCC2(CC(CC(C)N3CCCC4(CCCN4)C3)CCN2)C1.
What is the InChIKey of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane?
The InChIKey is JNQCHPBZEOWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-19(2)26-13-6-10-23(18-26)16-21(7-12-25-23)15-20(3)27-14-5-9-22(17-27)8-4-11-24-22/h19-21,24-25H,4-18H2,1-3H3.
What are the key properties of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane?
4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane has a molecular weight of 376.63 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 134482133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).