N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine

C11H17N3O — CID 106417007

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1noc(CCNC2C=CCCC2)n1
InChIInChI=1S/C11H17N3O/c1-9-13-11(15-14-9)7-8-12-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3
InChIKeyHFFSIRWAVKJBTK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 106417007) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID106417007
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine
SMILESCc1noc(CCNC2C=CCCC2)n1
InChIInChI=1S/C11H17N3O/c1-9-13-11(15-14-9)7-8-12-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3
InChIKeyHFFSIRWAVKJBTK-UHFFFAOYSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106414334
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106414187
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
1-(cyclobutylmethyl)-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 119151403

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine (CID 106417007) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine is Cc1noc(CCNC2C=CCCC2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is HFFSIRWAVKJBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-13-11(15-14-9)7-8-12-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 106417007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).