2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine

C16H29N3O2 — CID 116742460

IUPAC2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
SMILESCOC1(c2noc(C(CN)CC(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-11(2)9-13(10-17)14-18-15(19-21-14)16(20-4)7-5-12(3)6-8-16/h11-13H,5-10,17H2,1-4H3
InChIKeyFHZXBDBPKKGSSA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.21
Rot. Bonds6

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

2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine (PubChem CID 116742460) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
PubChem CID116742460
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
SMILESCOC1(c2noc(C(CN)CC(C)C)n2)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-11(2)9-13(10-17)14-18-15(19-21-14)16(20-4)7-5-12(3)6-8-16/h11-13H,5-10,17H2,1-4H3
InChIKeyFHZXBDBPKKGSSA-UHFFFAOYSA-N
XLogP3.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742557
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
(1S)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909650
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781348
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781360
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 116741586

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine?
The IUPAC name of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine (CID 116742460) is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine is COC1(c2noc(C(CN)CC(C)C)n2)CCC(C)CC1.
What is the InChIKey of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine?
The InChIKey is FHZXBDBPKKGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)9-13(10-17)14-18-15(19-21-14)16(20-4)7-5-12(3)6-8-16/h11-13H,5-10,17H2,1-4H3.
What are the key properties of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine?
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine is sourced from PubChem (CID 116742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).