1-ethenoxy-N-methylpropan-2-amine

C6H13NO — CID 23111381

IUPAC1-ethenoxy-N-methylpropan-2-amine
SMILESC=COCC(C)NC
InChIInChI=1S/C6H13NO/c1-4-8-5-6(2)7-3/h4,6-7H,1,5H2,2-3H3
InChIKeyPYVJDQMBBSPMES-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.75
Rot. Bonds4

About 1-ethenoxy-N-methylpropan-2-amine

1-ethenoxy-N-methylpropan-2-amine (PubChem CID 23111381) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethenoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-ethenoxy-N-methylpropan-2-amine
PubChem CID23111381
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-ethenoxy-N-methylpropan-2-amine
SMILESC=COCC(C)NC
InChIInChI=1S/C6H13NO/c1-4-8-5-6(2)7-3/h4,6-7H,1,5H2,2-3H3
InChIKeyPYVJDQMBBSPMES-UHFFFAOYSA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-N-methylpropan-2-amine?
The IUPAC name of 1-ethenoxy-N-methylpropan-2-amine (CID 23111381) is 1-ethenoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-ethenoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-ethenoxy-N-methylpropan-2-amine is C=COCC(C)NC.
What is the InChIKey of 1-ethenoxy-N-methylpropan-2-amine?
The InChIKey is PYVJDQMBBSPMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-5-6(2)7-3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 1-ethenoxy-N-methylpropan-2-amine?
1-ethenoxy-N-methylpropan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-N-methylpropan-2-amine is sourced from PubChem (CID 23111381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).