N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine

C10H18N2O — CID 115084221

IUPACN-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(CC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(2)6-10-12-9(7-13-10)4-5-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyTXAMSKQUJLILTC-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.63
Rot. Bonds5

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

N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084221) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115084221
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(CC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(2)6-10-12-9(7-13-10)4-5-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyTXAMSKQUJLILTC-UHFFFAOYSA-N
XLogP1.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine (CID 115084221) is N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine is CNCCc1coc(CC(C)C)n1.
What is the InChIKey of N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is TXAMSKQUJLILTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)6-10-12-9(7-13-10)4-5-11-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).