2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

C14H22N2O — CID 62326349

IUPAC2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCC2=CCCCC2)oc1C
InChIInChI=1S/C14H22N2O/c1-11-12(2)17-14(16-11)10-15-9-8-13-6-4-3-5-7-13/h6,15H,3-5,7-10H2,1-2H3
InChIKeyVUYSRHQJMUAYSJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 62326349) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID62326349
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNCCC2=CCCCC2)oc1C
InChIInChI=1S/C14H22N2O/c1-11-12(2)17-14(16-11)10-15-9-8-13-6-4-3-5-7-13/h6,15H,3-5,7-10H2,1-2H3
InChIKeyVUYSRHQJMUAYSJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 62326349) is 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNCCC2=CCCCC2)oc1C.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is VUYSRHQJMUAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-12(2)17-14(16-11)10-15-9-8-13-6-4-3-5-7-13/h6,15H,3-5,7-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62326349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).