8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C25H48N4 — CID 129100655

IUPAC8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(C(C)C)C2)CC1C1CCCN(CC)C12CN(C(C)C)C2
InChIInChI=1S/C25H48N4/c1-7-26-14-11-24(12-15-27(17-24)20(3)4)16-23(26)22-10-9-13-29(8-2)25(22)18-28(19-25)21(5)6/h20-23H,7-19H2,1-6H3
InChIKeyYKEGKAHBHYSDMM-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.77
Rot. Bonds5

About 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 129100655) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID129100655
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(C(C)C)C2)CC1C1CCCN(CC)C12CN(C(C)C)C2
InChIInChI=1S/C25H48N4/c1-7-26-14-11-24(12-15-27(17-24)20(3)4)16-23(26)22-10-9-13-29(8-2)25(22)18-28(19-25)21(5)6/h20-23H,7-19H2,1-6H3
InChIKeyYKEGKAHBHYSDMM-UHFFFAOYSA-N
XLogP3.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 129100655) is 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CCN1CCC2(CCN(C(C)C)C2)CC1C1CCCN(CC)C12CN(C(C)C)C2.
What is the InChIKey of 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YKEGKAHBHYSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-7-26-14-11-24(12-15-27(17-24)20(3)4)16-23(26)22-10-9-13-29(8-2)25(22)18-28(19-25)21(5)6/h20-23H,7-19H2,1-6H3.
What are the key properties of 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 404.69 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-(5-ethyl-2-propan-2-yl-2,5-diazaspiro[3.5]nonan-9-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 129100655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).