1-propoxyethane-1,1-diamine

C5H14N2O — CID 123766061

IUPAC1-propoxyethane-1,1-diamine
SMILESCCCOC(C)(N)N
InChIInChI=1S/C5H14N2O/c1-3-4-8-5(2,6)7/h3-4,6-7H2,1-2H3
InChIKeyZONBZJSJLLCDAA-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.00
Rot. Bonds3

About 1-propoxyethane-1,1-diamine

1-propoxyethane-1,1-diamine (PubChem CID 123766061) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-propoxyethane-1,1-diamine.

Molecular Properties

Compound Name1-propoxyethane-1,1-diamine
PubChem CID123766061
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-propoxyethane-1,1-diamine
SMILESCCCOC(C)(N)N
InChIInChI=1S/C5H14N2O/c1-3-4-8-5(2,6)7/h3-4,6-7H2,1-2H3
InChIKeyZONBZJSJLLCDAA-UHFFFAOYSA-N
XLogP0.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-propoxyethane-1,1-diamine?
The IUPAC name of 1-propoxyethane-1,1-diamine (CID 123766061) is 1-propoxyethane-1,1-diamine.
What is the SMILES notation for 1-propoxyethane-1,1-diamine?
The canonical SMILES for 1-propoxyethane-1,1-diamine is CCCOC(C)(N)N.
What is the InChIKey of 1-propoxyethane-1,1-diamine?
The InChIKey is ZONBZJSJLLCDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-3-4-8-5(2,6)7/h3-4,6-7H2,1-2H3.
What are the key properties of 1-propoxyethane-1,1-diamine?
1-propoxyethane-1,1-diamine has a molecular weight of 118.18 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyethane-1,1-diamine is sourced from PubChem (CID 123766061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).