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

C9H18N2 — CID 143637085

IUPACethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=N/C(C)=C\N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)9-5-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b7-5-;
InChIKeyUNGSCRAJNKPDKT-YJOCEBFMSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds2

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

ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine (PubChem CID 143637085) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
PubChem CID143637085
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=N/C(C)=C\N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)9-5-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b7-5-;
InChIKeyUNGSCRAJNKPDKT-YJOCEBFMSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The IUPAC name of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine (CID 143637085) is ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine.
What is the SMILES notation for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The canonical SMILES for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine is C=N/C(C)=C\N=C(C)C.CC.
What is the InChIKey of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The InChIKey is UNGSCRAJNKPDKT-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)9-5-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine has a molecular weight of 154.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine is sourced from PubChem (CID 143637085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).