8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C18H27IN2 — CID 65489382

IUPAC8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1ccc(I)cc1
InChIInChI=1S/C18H27IN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3
InChIKeyAEEPVAXMYILQAR-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.18
Rot. Bonds3

About 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 65489382) has the molecular formula C18H27IN2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID65489382
Molecular FormulaC18H27IN2
Molecular Weight398.33 g/mol
Exact Mass398.12
IUPAC Name8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1ccc(I)cc1
InChIInChI=1S/C18H27IN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3
InChIKeyAEEPVAXMYILQAR-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-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-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 65489382) is 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is CCC1(C)CNC2(CCCC2)CN1Cc1ccc(I)cc1.
What is the InChIKey of 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is AEEPVAXMYILQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27IN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3.
What are the key properties of 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 398.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65489382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).