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

C10H15N3O — CID 106401033

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESC1=CC(NCCc2ncon2)CCC1
InChIInChI=1S/C10H15N3O/c1-2-4-9(5-3-1)11-7-6-10-12-8-14-13-10/h2,4,8-9,11H,1,3,5-7H2
InChIKeyAIYIIIOXZHNGHB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 106401033) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID106401033
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
SMILESC1=CC(NCCc2ncon2)CCC1
InChIInChI=1S/C10H15N3O/c1-2-4-9(5-3-1)11-7-6-10-12-8-14-13-10/h2,4,8-9,11H,1,3,5-7H2
InChIKeyAIYIIIOXZHNGHB-UHFFFAOYSA-N
XLogP1.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
CID 106396081
2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106396253
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 107906760
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
3-ethoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 106396417
tert-butyl N-[[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 106395906
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine (CID 106401033) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine is C1=CC(NCCc2ncon2)CCC1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is AIYIIIOXZHNGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-4-9(5-3-1)11-7-6-10-12-8-14-13-10/h2,4,8-9,11H,1,3,5-7H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 106401033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).