N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

C14H26N2O — CID 65183651

IUPACN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CC(C)C(C)(C)C)o1
InChIInChI=1S/C14H26N2O/c1-6-7-15-10-13-16-9-12(17-13)8-11(2)14(3,4)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyISJACTQFYGEWDF-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.40
Rot. Bonds6

About N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65183651) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65183651
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CC(C)C(C)(C)C)o1
InChIInChI=1S/C14H26N2O/c1-6-7-15-10-13-16-9-12(17-13)8-11(2)14(3,4)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyISJACTQFYGEWDF-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.40
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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Related Compounds

N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182747
2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine
CID 65178751
3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179205
2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181670
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183700
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutan-2-ol
CID 106368581

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65183651) is N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(CC(C)C(C)(C)C)o1.
What is the InChIKey of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is ISJACTQFYGEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-7-15-10-13-16-9-12(17-13)8-11(2)14(3,4)5/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65183651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).