10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane

C19H29N — CID 79442268

IUPAC10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
SMILESCCC1CCCC2(CCNCC2c2cccc(C)c2)C1
InChIInChI=1S/C19H29N/c1-3-16-7-5-9-19(13-16)10-11-20-14-18(19)17-8-4-6-15(2)12-17/h4,6,8,12,16,18,20H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyRVYWMSWTHSMHDD-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.66
Rot. Bonds2

About 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane

10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane (PubChem CID 79442268) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
PubChem CID79442268
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
SMILESCCC1CCCC2(CCNCC2c2cccc(C)c2)C1
InChIInChI=1S/C19H29N/c1-3-16-7-5-9-19(13-16)10-11-20-14-18(19)17-8-4-6-15(2)12-17/h4,6,8,12,16,18,20H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyRVYWMSWTHSMHDD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
5-(3-bromophenyl)-10-propan-2-yl-3-azaspiro[5.5]undecane
CID 107450706
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane (CID 79442268) is 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane is CCC1CCCC2(CCNCC2c2cccc(C)c2)C1.
What is the InChIKey of 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane?
The InChIKey is RVYWMSWTHSMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-16-7-5-9-19(13-16)10-11-20-14-18(19)17-8-4-6-15(2)12-17/h4,6,8,12,16,18,20H,3,5,7,9-11,13-14H2,1-2H3.
What are the key properties of 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane?
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane has a molecular weight of 271.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79442268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).