N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C12H17N3O — CID 106414334

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCc1noc(CCNC2CC3CC=CC32)n1
InChIInChI=1S/C12H17N3O/c1-8-14-12(16-15-8)5-6-13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-7H2,1H3
InChIKeyBRPKBQLOFOELDU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 106414334) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID106414334
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCc1noc(CCNC2CC3CC=CC32)n1
InChIInChI=1S/C12H17N3O/c1-8-14-12(16-15-8)5-6-13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-7H2,1H3
InChIKeyBRPKBQLOFOELDU-UHFFFAOYSA-N
XLogP1.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.47
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]cyclohex-2-en-1-amine
CID 106417007
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 106414514
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844783
3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 103921823
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43223906
N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 55136454
3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
CID 75516201

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 106414334) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is Cc1noc(CCNC2CC3CC=CC32)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is BRPKBQLOFOELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-14-12(16-15-8)5-6-13-11-7-9-3-2-4-10(9)11/h2,4,9-11,13H,3,5-7H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 219.29 g/mol, XLogP of 1.47, 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]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 106414334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).