3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane

C18H28N2 — CID 79441909

IUPAC3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CCNCC2c2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2/c1-3-20-11-8-18(9-12-20)7-10-19-14-17(18)16-6-4-5-15(2)13-16/h4-6,13,17,19H,3,7-12,14H2,1-2H3
InChIKeyKGTLFIDSHWVNEL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.17
Rot. Bonds2

About 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane

3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 79441909) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID79441909
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CCNCC2c2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2/c1-3-20-11-8-18(9-12-20)7-10-19-14-17(18)16-6-4-5-15(2)13-16/h4-6,13,17,19H,3,7-12,14H2,1-2H3
InChIKeyKGTLFIDSHWVNEL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-9-ethyl-3,9-diazaspiro[5.6]dodecane
CID 79431220
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
5-(3-bromophenyl)-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79433528
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane (CID 79441909) is 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane is CCN1CCC2(CCNCC2c2cccc(C)c2)CC1.
What is the InChIKey of 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is KGTLFIDSHWVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-20-11-8-18(9-12-20)7-10-19-14-17(18)16-6-4-5-15(2)13-16/h4-6,13,17,19H,3,7-12,14H2,1-2H3.
What are the key properties of 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane?
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 272.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 79441909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).