6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C16H29N3O2 — CID 116743145

IUPAC6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCOC1(c2noc(CCCCCCN)n2)CCCCCC1
InChIInChI=1S/C16H29N3O2/c1-20-16(11-7-3-4-8-12-16)15-18-14(21-19-15)10-6-2-5-9-13-17/h2-13,17H2,1H3
InChIKeyBFXYSSJPTXWOAQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.33
Rot. Bonds8

About 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 116743145) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID116743145
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCOC1(c2noc(CCCCCCN)n2)CCCCCC1
InChIInChI=1S/C16H29N3O2/c1-20-16(11-7-3-4-8-12-16)15-18-14(21-19-15)10-6-2-5-9-13-17/h2-13,17H2,1H3
InChIKeyBFXYSSJPTXWOAQ-UHFFFAOYSA-N
XLogP3.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.33
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

5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781766
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
2-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116701492
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 116743145) is 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is COC1(c2noc(CCCCCCN)n2)CCCCCC1.
What is the InChIKey of 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is BFXYSSJPTXWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-20-16(11-7-3-4-8-12-16)15-18-14(21-19-15)10-6-2-5-9-13-17/h2-13,17H2,1H3.
What are the key properties of 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 116743145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).