5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane

C20H31N — CID 79432333

IUPAC5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCNCC2c2ccc(C)cc2)CC1
InChIInChI=1S/C20H31N/c1-3-4-17-9-11-20(12-10-17)13-14-21-15-19(20)18-7-5-16(2)6-8-18/h5-8,17,19,21H,3-4,9-15H2,1-2H3
InChIKeyNOCWHJBZOLJUES-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.05
Rot. Bonds3

About 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane

5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane (PubChem CID 79432333) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
PubChem CID79432333
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCNCC2c2ccc(C)cc2)CC1
InChIInChI=1S/C20H31N/c1-3-4-17-9-11-20(12-10-17)13-14-21-15-19(20)18-7-5-16(2)6-8-18/h5-8,17,19,21H,3-4,9-15H2,1-2H3
InChIKeyNOCWHJBZOLJUES-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
CID 106824876
6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441453
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
4-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)piperidine
CID 79441381
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane (CID 79432333) is 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane is CCCC1CCC2(CCNCC2c2ccc(C)cc2)CC1.
What is the InChIKey of 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane?
The InChIKey is NOCWHJBZOLJUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-4-17-9-11-20(12-10-17)13-14-21-15-19(20)18-7-5-16(2)6-8-18/h5-8,17,19,21H,3-4,9-15H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane?
5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane has a molecular weight of 285.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79432333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).