ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide

C8H18N2 — CID 142292448

IUPACethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide
SMILESCC.CC/C=C(C)\N=C\N
InChIInChI=1S/C6H12N2.C2H6/c1-3-4-6(2)8-5-7;1-2/h4-5H,3H2,1-2H3,(H2,7,8);1-2H3/b6-4-;
InChIKeyIRRKVFZGGUJRBZ-YHSAGPEESA-N
MW142.25 g/mol
LogP2.31
Rot. Bonds2

About ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide

ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide (PubChem CID 142292448) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound Nameethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide
PubChem CID142292448
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide
SMILESCC.CC/C=C(C)\N=C\N
InChIInChI=1S/C6H12N2.C2H6/c1-3-4-6(2)8-5-7;1-2/h4-5H,3H2,1-2H3,(H2,7,8);1-2H3/b6-4-;
InChIKeyIRRKVFZGGUJRBZ-YHSAGPEESA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide?
The IUPAC name of ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide (CID 142292448) is ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide.
What is the SMILES notation for ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide?
The canonical SMILES for ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide is CC.CC/C=C(C)\N=C\N.
What is the InChIKey of ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide?
The InChIKey is IRRKVFZGGUJRBZ-YHSAGPEESA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-3-4-6(2)8-5-7;1-2/h4-5H,3H2,1-2H3,(H2,7,8);1-2H3/b6-4-;.
What are the key properties of ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide?
ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide has a molecular weight of 142.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 142292448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).