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

C17H26N2 — CID 64933025

IUPAC8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-15-12-18-17(10-4-5-11-17)13-19(15)16-8-6-14(2)7-9-16/h6-9,15,18H,3-5,10-13H2,1-2H3
InChIKeyPVTXADUUBQOMCY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.50
Rot. Bonds2

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

8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64933025) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID64933025
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-15-12-18-17(10-4-5-11-17)13-19(15)16-8-6-14(2)7-9-16/h6-9,15,18H,3-5,10-13H2,1-2H3
InChIKeyPVTXADUUBQOMCY-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane (CID 64933025) is 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1ccc(C)cc1.
What is the InChIKey of 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is PVTXADUUBQOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15-12-18-17(10-4-5-11-17)13-19(15)16-8-6-14(2)7-9-16/h6-9,15,18H,3-5,10-13H2,1-2H3.
What are the key properties of 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 258.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64933025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).