[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine

C12H21N3O — CID 115436510

IUPAC[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
SMILESCCCc1noc(C2(CN)CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-6-10-14-11(16-15-10)12(9-13)7-4-3-5-8-12/h2-9,13H2,1H3
InChIKeyHFHCPCHQBHKURW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds4

About [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine

[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine (PubChem CID 115436510) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
PubChem CID115436510
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
SMILESCCCc1noc(C2(CN)CCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-2-6-10-14-11(16-15-10)12(9-13)7-4-3-5-8-12/h2-9,13H2,1H3
InChIKeyHFHCPCHQBHKURW-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(aminomethyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 115433709
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 102926483
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444540
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 102926644
[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436481
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
5-(1-fluorocyclobutyl)-3-propyl-1,2,4-oxadiazole
CID 131065330
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602

Frequently Asked Questions

What is the IUPAC name of [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine (CID 115436510) is [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine is CCCc1noc(C2(CN)CCCCC2)n1.
What is the InChIKey of [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
The InChIKey is HFHCPCHQBHKURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-10-14-11(16-15-10)12(9-13)7-4-3-5-8-12/h2-9,13H2,1H3.
What are the key properties of [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine?
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115436510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).