ethenoxyethene;propane-1,1-diamine

C7H16N2O — CID 137499273

IUPACethenoxyethene;propane-1,1-diamine
SMILESC=COC=C.CCC(N)N
InChIInChI=1S/C4H6O.C3H10N2/c1-3-5-4-2;1-2-3(4)5/h3-4H,1-2H2;3H,2,4-5H2,1H3
InChIKeySVPISFYKUZLHEE-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.93
Rot. Bonds3

About ethenoxyethene;propane-1,1-diamine

ethenoxyethene;propane-1,1-diamine (PubChem CID 137499273) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is ethenoxyethene;propane-1,1-diamine.

Molecular Properties

Compound Nameethenoxyethene;propane-1,1-diamine
PubChem CID137499273
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Nameethenoxyethene;propane-1,1-diamine
SMILESC=COC=C.CCC(N)N
InChIInChI=1S/C4H6O.C3H10N2/c1-3-5-4-2;1-2-3(4)5/h3-4H,1-2H2;3H,2,4-5H2,1H3
InChIKeySVPISFYKUZLHEE-UHFFFAOYSA-N
XLogP0.93
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;propane-1,1-diamine?
The IUPAC name of ethenoxyethene;propane-1,1-diamine (CID 137499273) is ethenoxyethene;propane-1,1-diamine.
What is the SMILES notation for ethenoxyethene;propane-1,1-diamine?
The canonical SMILES for ethenoxyethene;propane-1,1-diamine is C=COC=C.CCC(N)N.
What is the InChIKey of ethenoxyethene;propane-1,1-diamine?
The InChIKey is SVPISFYKUZLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H10N2/c1-3-5-4-2;1-2-3(4)5/h3-4H,1-2H2;3H,2,4-5H2,1H3.
What are the key properties of ethenoxyethene;propane-1,1-diamine?
ethenoxyethene;propane-1,1-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;propane-1,1-diamine is sourced from PubChem (CID 137499273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).