2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine

C16H29N3O2 — CID 116741586

IUPAC2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
SMILESCOC1(c2noc(CC(CN)CC(C)C)n2)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-13(11-17)10-14-18-15(19-21-14)16(20-3)7-5-4-6-8-16/h12-13H,4-11,17H2,1-3H3
InChIKeyFWYRQNVCZHXMAD-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.04
Rot. Bonds7

About 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine

2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine (PubChem CID 116741586) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
PubChem CID116741586
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
SMILESCOC1(c2noc(CC(CN)CC(C)C)n2)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-13(11-17)10-14-18-15(19-21-14)16(20-3)7-5-4-6-8-16/h12-13H,4-11,17H2,1-3H3
InChIKeyFWYRQNVCZHXMAD-UHFFFAOYSA-N
XLogP3.04
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine with MolForge

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Related Compounds

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]-4-methylpentan-2-amine
CID 116781414
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116781208
1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116781217
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine (CID 116741586) is 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine is COC1(c2noc(CC(CN)CC(C)C)n2)CCCCC1.
What is the InChIKey of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
The InChIKey is FWYRQNVCZHXMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)9-13(11-17)10-14-18-15(19-21-14)16(20-3)7-5-4-6-8-16/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine?
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 116741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).