8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane

C25H48N4 — CID 134510565

IUPAC8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCN1CCCC2(CCN(C(C)CC3CCC4(CCN(C(C)C)C4)CN3C)C2)C1
InChIInChI=1S/C25H48N4/c1-6-27-13-7-9-24(18-27)12-15-29(20-24)22(4)16-23-8-10-25(17-26(23)5)11-14-28(19-25)21(2)3/h21-23H,6-20H2,1-5H3
InChIKeyMZGZFGNNDXZLBD-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.77
Rot. Bonds5

About 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane

8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 134510565) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID134510565
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCN1CCCC2(CCN(C(C)CC3CCC4(CCN(C(C)C)C4)CN3C)C2)C1
InChIInChI=1S/C25H48N4/c1-6-27-13-7-9-24(18-27)12-15-29(20-24)22(4)16-23-8-10-25(17-26(23)5)11-14-28(19-25)21(2)3/h21-23H,6-20H2,1-5H3
InChIKeyMZGZFGNNDXZLBD-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-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane (CID 134510565) is 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane is CCN1CCCC2(CCN(C(C)CC3CCC4(CCN(C(C)C)C4)CN3C)C2)C1.
What is the InChIKey of 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is MZGZFGNNDXZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-6-27-13-7-9-24(18-27)12-15-29(20-24)22(4)16-23-8-10-25(17-26(23)5)11-14-28(19-25)21(2)3/h21-23H,6-20H2,1-5H3.
What are the key properties of 8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
8-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-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-[2-(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 134510565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).