[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

C15H27N3O2 — CID 116740540

IUPAC[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESCCC(C)(OC)c1noc(C2(CN)CCCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-14(2,19-3)12-17-13(20-18-12)15(11-16)9-7-5-6-8-10-15/h4-11,16H2,1-3H3
InChIKeyAMKGBHBGNORYKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.89
Rot. Bonds5

About [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine

[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (PubChem CID 116740540) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
PubChem CID116740540
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
SMILESCCC(C)(OC)c1noc(C2(CN)CCCCCC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-14(2,19-3)12-17-13(20-18-12)15(11-16)9-7-5-6-8-10-15/h4-11,16H2,1-3H3
InChIKeyAMKGBHBGNORYKZ-UHFFFAOYSA-N
XLogP2.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 116740457
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
5-(3-ethylpiperidin-3-yl)-3-(3-methoxypentan-3-yl)-1,2,4-oxadiazole
CID 116741140
3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116740626
[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116704695
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 102926483
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The IUPAC name of [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine (CID 116740540) is [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The canonical SMILES for [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is CCC(C)(OC)c1noc(C2(CN)CCCCCC2)n1.
What is the InChIKey of [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
The InChIKey is AMKGBHBGNORYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-14(2,19-3)12-17-13(20-18-12)15(11-16)9-7-5-6-8-10-15/h4-11,16H2,1-3H3.
What are the key properties of [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine?
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine is sourced from PubChem (CID 116740540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).