amino N-ethenylmethanimidate;ethane

C7H18N2O — CID 168885760

IUPACamino N-ethenylmethanimidate;ethane
SMILESC=C/N=C/ON.CC.CC
InChIInChI=1S/C3H6N2O.2C2H6/c1-2-5-3-6-4;2*1-2/h2-3H,1,4H2;2*1-2H3/b5-3+;;
InChIKeyCFGNWUINIPPLSU-RQCPZROWSA-N
MW146.23 g/mol
LogP2.10
Rot. Bonds2

About amino N-ethenylmethanimidate;ethane

amino N-ethenylmethanimidate;ethane (PubChem CID 168885760) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is amino N-ethenylmethanimidate;ethane.

Molecular Properties

Compound Nameamino N-ethenylmethanimidate;ethane
PubChem CID168885760
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Nameamino N-ethenylmethanimidate;ethane
SMILESC=C/N=C/ON.CC.CC
InChIInChI=1S/C3H6N2O.2C2H6/c1-2-5-3-6-4;2*1-2/h2-3H,1,4H2;2*1-2H3/b5-3+;;
InChIKeyCFGNWUINIPPLSU-RQCPZROWSA-N
XLogP2.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 amino N-ethenylmethanimidate;ethane?
The IUPAC name of amino N-ethenylmethanimidate;ethane (CID 168885760) is amino N-ethenylmethanimidate;ethane.
What is the SMILES notation for amino N-ethenylmethanimidate;ethane?
The canonical SMILES for amino N-ethenylmethanimidate;ethane is C=C/N=C/ON.CC.CC.
What is the InChIKey of amino N-ethenylmethanimidate;ethane?
The InChIKey is CFGNWUINIPPLSU-RQCPZROWSA-N. The full InChI is InChI=1S/C3H6N2O.2C2H6/c1-2-5-3-6-4;2*1-2/h2-3H,1,4H2;2*1-2H3/b5-3+;;.
What are the key properties of amino N-ethenylmethanimidate;ethane?
amino N-ethenylmethanimidate;ethane has a molecular weight of 146.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-ethenylmethanimidate;ethane is sourced from PubChem (CID 168885760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).