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

C14H23N3O — CID 74242475

IUPAC1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)CC2CC=CCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-13(18-16-14)10-17(3)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyFESSOCNSLJVUSR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.98
Rot. Bonds5

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

1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 74242475) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID74242475
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)CC2CC=CCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-13(18-16-14)10-17(3)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyFESSOCNSLJVUSR-UHFFFAOYSA-N
XLogP2.98
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 74242475) is 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CC(C)c1noc(CN(C)CC2CC=CCC2)n1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is FESSOCNSLJVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)14-15-13(18-16-14)10-17(3)9-12-7-5-4-6-8-12/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 74242475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).