4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane

C19H30N2 — CID 64931476

IUPAC4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1cccc(C)c1C
InChIInChI=1S/C19H30N2/c1-4-17-13-20-19(11-6-5-7-12-19)14-21(17)18-10-8-9-15(2)16(18)3/h8-10,17,20H,4-7,11-14H2,1-3H3
InChIKeyYQUWLIKDBZOEDT-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.19
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane

4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64931476) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64931476
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1cccc(C)c1C
InChIInChI=1S/C19H30N2/c1-4-17-13-20-19(11-6-5-7-12-19)14-21(17)18-10-8-9-15(2)16(18)3/h8-10,17,20H,4-7,11-14H2,1-3H3
InChIKeyYQUWLIKDBZOEDT-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
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
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane (CID 64931476) is 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1c1cccc(C)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is YQUWLIKDBZOEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-17-13-20-19(11-6-5-7-12-19)14-21(17)18-10-8-9-15(2)16(18)3/h8-10,17,20H,4-7,11-14H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64931476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).