N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine

C9H21NO — CID 22960539

IUPACN-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
SMILESCCN(CC)COC(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10(7-2)8-11-9(3,4)5/h6-8H2,1-5H3
InChIKeyLMNUWEDZLZUMPZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.10
Rot. Bonds4

About N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine

N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine (PubChem CID 22960539) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
PubChem CID22960539
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
SMILESCCN(CC)COC(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-10(7-2)8-11-9(3,4)5/h6-8H2,1-5H3
InChIKeyLMNUWEDZLZUMPZ-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine (CID 22960539) is N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine is CCN(CC)COC(C)(C)C.
What is the InChIKey of N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
The InChIKey is LMNUWEDZLZUMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-10(7-2)8-11-9(3,4)5/h6-8H2,1-5H3.
What are the key properties of N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine?
N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine has a molecular weight of 159.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine is sourced from PubChem (CID 22960539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).