N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine

C13H21N3O3 — CID 72914722

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC2CCOC3(CCOCC3)C2)o1
InChIInChI=1S/C13H21N3O3/c1-2-11-15-16-12(19-11)14-10-3-6-18-13(9-10)4-7-17-8-5-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyDTHRVQBNGAPXFR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.77
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 72914722) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID72914722
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC2CCOC3(CCOCC3)C2)o1
InChIInChI=1S/C13H21N3O3/c1-2-11-15-16-12(19-11)14-10-3-6-18-13(9-10)4-7-17-8-5-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyDTHRVQBNGAPXFR-UHFFFAOYSA-N
XLogP1.77
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2,6-dibromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902165
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106370958
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963483
N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963482
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine (CID 72914722) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NC2CCOC3(CCOCC3)C2)o1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is DTHRVQBNGAPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-11-15-16-12(19-11)14-10-3-6-18-13(9-10)4-7-17-8-5-13/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 267.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72914722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).