1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane

C28H54N4 — CID 139299186

IUPAC1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCN(C(C)(C)C3CCC4(CCCN(C(C)C)C4)N3C(C)C)CC2)C1
InChIInChI=1S/C28H54N4/c1-22(2)29-16-9-11-28(21-29)12-10-25(32(28)24(5)6)26(7,8)31-18-14-27(15-19-31)13-17-30(20-27)23(3)4/h22-25H,9-21H2,1-8H3
InChIKeyHPJWOXCKAZBGEF-UHFFFAOYSA-N
MW446.77 g/mol
LogP5.08
Rot. Bonds5

About 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane

1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane (PubChem CID 139299186) has the molecular formula C28H54N4 and a molecular weight of 446.77 g/mol. Its IUPAC name is 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane
PubChem CID139299186
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC Name1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCN(C(C)(C)C3CCC4(CCCN(C(C)C)C4)N3C(C)C)CC2)C1
InChIInChI=1S/C28H54N4/c1-22(2)29-16-9-11-28(21-29)12-10-25(32(28)24(5)6)26(7,8)31-18-14-27(15-19-31)13-17-30(20-27)23(3)4/h22-25H,9-21H2,1-8H3
InChIKeyHPJWOXCKAZBGEF-UHFFFAOYSA-N
XLogP5.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.77
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane?
The IUPAC name of 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane (CID 139299186) is 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane is CC(C)N1CCC2(CCN(C(C)(C)C3CCC4(CCCN(C(C)C)C4)N3C(C)C)CC2)C1.
What is the InChIKey of 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane?
The InChIKey is HPJWOXCKAZBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-22(2)29-16-9-11-28(21-29)12-10-25(32(28)24(5)6)26(7,8)31-18-14-27(15-19-31)13-17-30(20-27)23(3)4/h22-25H,9-21H2,1-8H3.
What are the key properties of 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane?
1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane has a molecular weight of 446.77 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 139299186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).