2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine

C6H14N2O — CID 57145495

IUPAC2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILES[H]/N=C/CNOC(C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(2,3)9-8-5-4-7/h4,7-8H,5H2,1-3H3/b7-4+
InChIKeyRIYQTDLCCQNIHN-QPJJXVBHSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds3

About 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine

2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 57145495) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID57145495
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILES[H]/N=C/CNOC(C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(2,3)9-8-5-4-7/h4,7-8H,5H2,1-3H3/b7-4+
InChIKeyRIYQTDLCCQNIHN-QPJJXVBHSA-N
XLogP0.96
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 57145495) is 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine is [H]/N=C/CNOC(C)(C)C.
What is the InChIKey of 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is RIYQTDLCCQNIHN-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2,3)9-8-5-4-7/h4,7-8H,5H2,1-3H3/b7-4+.
What are the key properties of 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine?
2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 130.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 57145495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).