2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C15H27ClN4O — CID 119932121

IUPAC2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCC(C)(N)c1noc(CN2CCC3(CCCCC3)C2)n1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-14(2,16)13-17-12(20-18-13)10-19-9-8-15(11-19)6-4-3-5-7-15;/h3-11,16H2,1-2H3;1H
InChIKeyYYFLGPUWYFNVKH-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.84
Rot. Bonds3

About 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 119932121) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID119932121
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCC(C)(N)c1noc(CN2CCC3(CCCCC3)C2)n1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-14(2,16)13-17-12(20-18-13)10-19-9-8-15(11-19)6-4-3-5-7-15;/h3-11,16H2,1-2H3;1H
InChIKeyYYFLGPUWYFNVKH-UHFFFAOYSA-N
XLogP2.84
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride with MolForge

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Related Compounds

2-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931315
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63160844
2-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930542
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
2-[5-[(4-cyclopentylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932558
2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932594
2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63624443
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 102850060

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 119932121) is 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CC(C)(N)c1noc(CN2CCC3(CCCCC3)C2)n1.Cl.
What is the InChIKey of 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is YYFLGPUWYFNVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-14(2,16)13-17-12(20-18-13)10-19-9-8-15(11-19)6-4-3-5-7-15;/h3-11,16H2,1-2H3;1H.
What are the key properties of 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 119932121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).