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

C18H28N2 — CID 64931877

IUPAC4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCc1cccc(N2CC3(CCCCC3)NCC2C)c1
InChIInChI=1S/C18H28N2/c1-3-16-8-7-9-17(12-16)20-14-18(19-13-15(20)2)10-5-4-6-11-18/h7-9,12,15,19H,3-6,10-11,13-14H2,1-2H3
InChIKeyBWDMFQCZRREUSN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.75
Rot. Bonds2

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

4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64931877) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64931877
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCc1cccc(N2CC3(CCCCC3)NCC2C)c1
InChIInChI=1S/C18H28N2/c1-3-16-8-7-9-17(12-16)20-14-18(19-13-15(20)2)10-5-4-6-11-18/h7-9,12,15,19H,3-6,10-11,13-14H2,1-2H3
InChIKeyBWDMFQCZRREUSN-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931054
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
4-(1-benzothiophen-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 65451106
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64931877) is 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCc1cccc(N2CC3(CCCCC3)NCC2C)c1.
What is the InChIKey of 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is BWDMFQCZRREUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-16-8-7-9-17(12-16)20-14-18(19-13-15(20)2)10-5-4-6-11-18/h7-9,12,15,19H,3-6,10-11,13-14H2,1-2H3.
What are the key properties of 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 272.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64931877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).