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

C22H42N4 — CID 129237088

IUPAC4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane
SMILESCCN1CCCC2(CC(CC(C)N3CCCC4(CCCN4)C3)CCN2)C1
InChIInChI=1S/C22H42N4/c1-3-25-13-5-10-22(17-25)16-20(7-12-24-22)15-19(2)26-14-6-9-21(18-26)8-4-11-23-21/h19-20,23-24H,3-18H2,1-2H3
InChIKeyYQXIDIKHRDMRQA-UHFFFAOYSA-N
MW362.61 g/mol
LogP2.84
Rot. Bonds4

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

4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane (PubChem CID 129237088) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane
PubChem CID129237088
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane
SMILESCCN1CCCC2(CC(CC(C)N3CCCC4(CCCN4)C3)CCN2)C1
InChIInChI=1S/C22H42N4/c1-3-25-13-5-10-22(17-25)16-20(7-12-24-22)15-19(2)26-14-6-9-21(18-26)8-4-11-23-21/h19-20,23-24H,3-18H2,1-2H3
InChIKeyYQXIDIKHRDMRQA-UHFFFAOYSA-N
XLogP2.84
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.84
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-ethyl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane (CID 129237088) is 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane is CCN1CCCC2(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-ethyl-1,8-diazaspiro[5.5]undecane?
The InChIKey is YQXIDIKHRDMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-3-25-13-5-10-22(17-25)16-20(7-12-24-22)15-19(2)26-14-6-9-21(18-26)8-4-11-23-21/h19-20,23-24H,3-18H2,1-2H3.
What are the key properties of 4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane?
4-[2-(1,9-diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane has a molecular weight of 362.61 g/mol, XLogP of 2.84, 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-ethyl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 129237088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).