3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane

C19H30N2 — CID 64932241

IUPAC3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCc1cccc(N2CC3(CCCCC3)NCC2CC)c1
InChIInChI=1S/C19H30N2/c1-3-16-9-8-10-18(13-16)21-15-19(11-6-5-7-12-19)20-14-17(21)4-2/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3
InChIKeyQASBMGJQPRDMTC-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.14
Rot. Bonds3

About 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64932241) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64932241
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCc1cccc(N2CC3(CCCCC3)NCC2CC)c1
InChIInChI=1S/C19H30N2/c1-3-16-9-8-10-18(13-16)21-15-19(11-6-5-7-12-19)20-14-17(21)4-2/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3
InChIKeyQASBMGJQPRDMTC-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane (CID 64932241) is 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane is CCc1cccc(N2CC3(CCCCC3)NCC2CC)c1.
What is the InChIKey of 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is QASBMGJQPRDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-16-9-8-10-18(13-16)21-15-19(11-6-5-7-12-19)20-14-17(21)4-2/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3.
What are the key properties of 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64932241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).