ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine

C9H21N3 — CID 143742847

IUPACethane;2-methyliminoethanamine;N-prop-2-enylmethanimine
SMILESC/N=C/CN.C=CCN=C.CC
InChIInChI=1S/C4H7N.C3H8N2.C2H6/c1-3-4-5-2;1-5-3-2-4;1-2/h3H,1-2,4H2;3H,2,4H2,1H3;1-2H3/b;5-3+;
InChIKeyZFXNDMZFVXWKES-PTDWBMLLSA-N
MW171.29 g/mol
LogP1.54
Rot. Bonds3

About ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine

ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine (PubChem CID 143742847) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine.

Molecular Properties

Compound Nameethane;2-methyliminoethanamine;N-prop-2-enylmethanimine
PubChem CID143742847
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameethane;2-methyliminoethanamine;N-prop-2-enylmethanimine
SMILESC/N=C/CN.C=CCN=C.CC
InChIInChI=1S/C4H7N.C3H8N2.C2H6/c1-3-4-5-2;1-5-3-2-4;1-2/h3H,1-2,4H2;3H,2,4H2,1H3;1-2H3/b;5-3+;
InChIKeyZFXNDMZFVXWKES-PTDWBMLLSA-N
XLogP1.54
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine?
The IUPAC name of ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine (CID 143742847) is ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine.
What is the SMILES notation for ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine?
The canonical SMILES for ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine is C/N=C/CN.C=CCN=C.CC.
What is the InChIKey of ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine?
The InChIKey is ZFXNDMZFVXWKES-PTDWBMLLSA-N. The full InChI is InChI=1S/C4H7N.C3H8N2.C2H6/c1-3-4-5-2;1-5-3-2-4;1-2/h3H,1-2,4H2;3H,2,4H2,1H3;1-2H3/b;5-3+;.
What are the key properties of ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine?
ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine has a molecular weight of 171.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyliminoethanamine;N-prop-2-enylmethanimine is sourced from PubChem (CID 143742847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).