2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane

C25H48N4 — CID 129100664

IUPAC2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCC1NC(C2CN(CC)CC23CCCN(C(C)C)C3)CC12CCN(C(C)C)C2
InChIInChI=1S/C25H48N4/c1-7-23-24(11-13-29(17-24)20(5)6)14-22(26-23)21-15-27(8-2)16-25(21)10-9-12-28(18-25)19(3)4/h19-23,26H,7-18H2,1-6H3
InChIKeyNDKXGKHOTBJBEW-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.67
Rot. Bonds5

About 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane

2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 129100664) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID129100664
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCC1NC(C2CN(CC)CC23CCCN(C(C)C)C3)CC12CCN(C(C)C)C2
InChIInChI=1S/C25H48N4/c1-7-23-24(11-13-29(17-24)20(5)6)14-22(26-23)21-15-27(8-2)16-25(21)10-9-12-28(18-25)19(3)4/h19-23,26H,7-18H2,1-6H3
InChIKeyNDKXGKHOTBJBEW-UHFFFAOYSA-N
XLogP3.67
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane (CID 129100664) is 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane is CCC1NC(C2CN(CC)CC23CCCN(C(C)C)C3)CC12CCN(C(C)C)C2.
What is the InChIKey of 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is NDKXGKHOTBJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-7-23-24(11-13-29(17-24)20(5)6)14-22(26-23)21-15-27(8-2)16-25(21)10-9-12-28(18-25)19(3)4/h19-23,26H,7-18H2,1-6H3.
What are the key properties of 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane?
2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 404.69 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 129100664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).