ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine

C12H27N — CID 176943859

IUPACethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.C=C.CC.CC
InChIInChI=1S/C6H11N.2C2H6.C2H4/c1-4-5-7-6(2)3;3*1-2/h4-5H,1-3H3;2*1-2H3;1-2H2/b5-4-;;;
InChIKeyMNTAMSSKPUENFE-OAWHIZORSA-N
MW185.35 g/mol
LogP4.86
Rot. Bonds1

About ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine

ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 176943859) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Nameethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine
PubChem CID176943859
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.C=C.CC.CC
InChIInChI=1S/C6H11N.2C2H6.C2H4/c1-4-5-7-6(2)3;3*1-2/h4-5H,1-3H3;2*1-2H3;1-2H2/b5-4-;;;
InChIKeyMNTAMSSKPUENFE-OAWHIZORSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 54.86
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 ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine?
The IUPAC name of ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine (CID 176943859) is ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine?
The canonical SMILES for ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(C)C.C=C.CC.CC.
What is the InChIKey of ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine?
The InChIKey is MNTAMSSKPUENFE-OAWHIZORSA-N. The full InChI is InChI=1S/C6H11N.2C2H6.C2H4/c1-4-5-7-6(2)3;3*1-2/h4-5H,1-3H3;2*1-2H3;1-2H2/b5-4-;;;.
What are the key properties of ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine?
ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 185.35 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 176943859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).