2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C14H23N3O2 — CID 106416534

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCc1noc(CCNCC2CCC3(CCCC3)O2)n1
InChIInChI=1S/C14H23N3O2/c1-11-16-13(19-17-11)5-9-15-10-12-4-8-14(18-12)6-2-3-7-14/h12,15H,2-10H2,1H3
InChIKeyWBNDRKBEKVWYCK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 106416534) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID106416534
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCc1noc(CCNCC2CCC3(CCCC3)O2)n1
InChIInChI=1S/C14H23N3O2/c1-11-16-13(19-17-11)5-9-15-10-12-4-8-14(18-12)6-2-3-7-14/h12,15H,2-10H2,1H3
InChIKeyWBNDRKBEKVWYCK-UHFFFAOYSA-N
XLogP2.00
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 106416995
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide
CID 146149476
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-(5-bromothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106047186

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 106416534) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is Cc1noc(CCNCC2CCC3(CCCC3)O2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is WBNDRKBEKVWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-16-13(19-17-11)5-9-15-10-12-4-8-14(18-12)6-2-3-7-14/h12,15H,2-10H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 106416534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).