ethene;N-methylpropan-2-imine;prop-1-ene

C9H19N — CID 156743766

IUPACethene;N-methylpropan-2-imine;prop-1-ene
SMILESC=C.C=CC.CN=C(C)C
InChIInChI=1S/C4H9N.C3H6.C2H4/c1-4(2)5-3;1-3-2;1-2/h1-3H3;3H,1H2,2H3;1-2H2
InChIKeyKEBSVKZHWAGJCW-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.09
Rot. Bonds

About ethene;N-methylpropan-2-imine;prop-1-ene

ethene;N-methylpropan-2-imine;prop-1-ene (PubChem CID 156743766) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethene;N-methylpropan-2-imine;prop-1-ene.

Molecular Properties

Compound Nameethene;N-methylpropan-2-imine;prop-1-ene
PubChem CID156743766
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethene;N-methylpropan-2-imine;prop-1-ene
SMILESC=C.C=CC.CN=C(C)C
InChIInChI=1S/C4H9N.C3H6.C2H4/c1-4(2)5-3;1-3-2;1-2/h1-3H3;3H,1H2,2H3;1-2H2
InChIKeyKEBSVKZHWAGJCW-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethene;N-methylpropan-2-imine;prop-1-ene?
The IUPAC name of ethene;N-methylpropan-2-imine;prop-1-ene (CID 156743766) is ethene;N-methylpropan-2-imine;prop-1-ene.
What is the SMILES notation for ethene;N-methylpropan-2-imine;prop-1-ene?
The canonical SMILES for ethene;N-methylpropan-2-imine;prop-1-ene is C=C.C=CC.CN=C(C)C.
What is the InChIKey of ethene;N-methylpropan-2-imine;prop-1-ene?
The InChIKey is KEBSVKZHWAGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H6.C2H4/c1-4(2)5-3;1-3-2;1-2/h1-3H3;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;N-methylpropan-2-imine;prop-1-ene?
ethene;N-methylpropan-2-imine;prop-1-ene has a molecular weight of 141.26 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-methylpropan-2-imine;prop-1-ene is sourced from PubChem (CID 156743766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).