ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide

C11H26N2 — CID 144888637

IUPACethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide
SMILESCC.CC.CC/C(C)=C\N/C=N/C
InChIInChI=1S/C7H14N2.2C2H6/c1-4-7(2)5-9-6-8-3;2*1-2/h5-6H,4H2,1-3H3,(H,8,9);2*1-2H3/b7-5-;;
InChIKeyQITGNRPLVWQMJT-MWKZNRQPSA-N
MW186.34 g/mol
LogP3.60
Rot. Bonds3

About ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide

ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide (PubChem CID 144888637) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide
PubChem CID144888637
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide
SMILESCC.CC.CC/C(C)=C\N/C=N/C
InChIInChI=1S/C7H14N2.2C2H6/c1-4-7(2)5-9-6-8-3;2*1-2/h5-6H,4H2,1-3H3,(H,8,9);2*1-2H3/b7-5-;;
InChIKeyQITGNRPLVWQMJT-MWKZNRQPSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.60
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'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide?
The IUPAC name of ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide (CID 144888637) is ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide?
The canonical SMILES for ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide is CC.CC.CC/C(C)=C\N/C=N/C.
What is the InChIKey of ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide?
The InChIKey is QITGNRPLVWQMJT-MWKZNRQPSA-N. The full InChI is InChI=1S/C7H14N2.2C2H6/c1-4-7(2)5-9-6-8-3;2*1-2/h5-6H,4H2,1-3H3,(H,8,9);2*1-2H3/b7-5-;;.
What are the key properties of ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide?
ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide has a molecular weight of 186.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-[(Z)-2-methylbut-1-enyl]methanimidamide is sourced from PubChem (CID 144888637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).