2-ethoxypropan-2-amine

C5H13NO — CID 87396880

IUPAC2-ethoxypropan-2-amine
SMILESCCOC(C)(C)N
InChIInChI=1S/C5H13NO/c1-4-7-5(2,3)6/h4,6H2,1-3H3
InChIKeyJNSMCYSZMIVUFQ-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.72
Rot. Bonds2

About 2-ethoxypropan-2-amine

2-ethoxypropan-2-amine (PubChem CID 87396880) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 2-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-ethoxypropan-2-amine
PubChem CID87396880
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name2-ethoxypropan-2-amine
SMILESCCOC(C)(C)N
InChIInChI=1S/C5H13NO/c1-4-7-5(2,3)6/h4,6H2,1-3H3
InChIKeyJNSMCYSZMIVUFQ-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 2-ethoxypropan-2-amine?
The IUPAC name of 2-ethoxypropan-2-amine (CID 87396880) is 2-ethoxypropan-2-amine.
What is the SMILES notation for 2-ethoxypropan-2-amine?
The canonical SMILES for 2-ethoxypropan-2-amine is CCOC(C)(C)N.
What is the InChIKey of 2-ethoxypropan-2-amine?
The InChIKey is JNSMCYSZMIVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4-7-5(2,3)6/h4,6H2,1-3H3.
What are the key properties of 2-ethoxypropan-2-amine?
2-ethoxypropan-2-amine has a molecular weight of 103.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropan-2-amine is sourced from PubChem (CID 87396880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).