ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide

C8H16N2 — CID 142915706

IUPACethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(C)=C\N=C\N.CC
InChIInChI=1S/C6H10N2.C2H6/c1-3-6(2)4-8-5-7;1-2/h3-5H,1H2,2H3,(H2,7,8);1-2H3/b6-4-;
InChIKeyOZATZELNXRJWDD-YHSAGPEESA-N
MW140.23 g/mol
LogP2.09
Rot. Bonds2

About ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide

ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide (PubChem CID 142915706) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound Nameethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
PubChem CID142915706
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(C)=C\N=C\N.CC
InChIInChI=1S/C6H10N2.C2H6/c1-3-6(2)4-8-5-7;1-2/h3-5H,1H2,2H3,(H2,7,8);1-2H3/b6-4-;
InChIKeyOZATZELNXRJWDD-YHSAGPEESA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.09
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide (CID 142915706) is ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide is C=C/C(C)=C\N=C\N.CC.
What is the InChIKey of ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The InChIKey is OZATZELNXRJWDD-YHSAGPEESA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-3-6(2)4-8-5-7;1-2/h3-5H,1H2,2H3,(H2,7,8);1-2H3/b6-4-;.
What are the key properties of ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 142915706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).