N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine

C15H28N2O — CID 65183100

IUPACN-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(CC(C)CC(C)(C)C)o1
InChIInChI=1S/C15H28N2O/c1-6-16-8-7-14-17-11-13(18-14)9-12(2)10-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyOXPAPVUOFQTRMC-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183100) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183100
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(CC(C)CC(C)(C)C)o1
InChIInChI=1S/C15H28N2O/c1-6-16-8-7-14-17-11-13(18-14)9-12(2)10-15(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyOXPAPVUOFQTRMC-UHFFFAOYSA-N
XLogP3.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine (CID 65183100) is N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(CC(C)CC(C)(C)C)o1.
What is the InChIKey of N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OXPAPVUOFQTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-16-8-7-14-17-11-13(18-14)9-12(2)10-15(3,4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 252.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).