1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C12H21N3O — CID 79404339

IUPAC1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCCCCc1noc(C2(N)CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-3-7-10-14-11(16-15-10)12(13)8-5-4-6-9-12/h2-9,13H2,1H3
InChIKeyICWRDTQWDOTAPS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 79404339) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID79404339
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCCCCc1noc(C2(N)CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-3-7-10-14-11(16-15-10)12(13)8-5-4-6-9-12/h2-9,13H2,1H3
InChIKeyICWRDTQWDOTAPS-UHFFFAOYSA-N
XLogP2.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65094591
1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130101
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130648
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814548
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137376
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 102926823
1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161289
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 62553229
1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65138273
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 79404339) is 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is CCCCc1noc(C2(N)CCCCC2)n1.
What is the InChIKey of 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is ICWRDTQWDOTAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-7-10-14-11(16-15-10)12(13)8-5-4-6-9-12/h2-9,13H2,1H3.
What are the key properties of 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 79404339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).