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

C6H12N2 — CID 142915722

IUPACN'-[(Z)-2-methylbut-1-enyl]methanimidamide
SMILESCC/C(C)=C\N=C\N
InChIInChI=1S/C6H12N2/c1-3-6(2)4-8-5-7/h4-5H,3H2,1-2H3,(H2,7,8)/b6-4-
InChIKeyRMASABRQCJEDAK-XQRVVYSFSA-N
MW112.18 g/mol
LogP1.29
Rot. Bonds2

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

N'-[(Z)-2-methylbut-1-enyl]methanimidamide (PubChem CID 142915722) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-[(Z)-2-methylbut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-methylbut-1-enyl]methanimidamide
PubChem CID142915722
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-[(Z)-2-methylbut-1-enyl]methanimidamide
SMILESCC/C(C)=C\N=C\N
InChIInChI=1S/C6H12N2/c1-3-6(2)4-8-5-7/h4-5H,3H2,1-2H3,(H2,7,8)/b6-4-
InChIKeyRMASABRQCJEDAK-XQRVVYSFSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.29
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 N'-[(Z)-2-methylbut-1-enyl]methanimidamide?
The IUPAC name of N'-[(Z)-2-methylbut-1-enyl]methanimidamide (CID 142915722) is N'-[(Z)-2-methylbut-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(Z)-2-methylbut-1-enyl]methanimidamide?
The canonical SMILES for N'-[(Z)-2-methylbut-1-enyl]methanimidamide is CC/C(C)=C\N=C\N.
What is the InChIKey of N'-[(Z)-2-methylbut-1-enyl]methanimidamide?
The InChIKey is RMASABRQCJEDAK-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(2)4-8-5-7/h4-5H,3H2,1-2H3,(H2,7,8)/b6-4-.
What are the key properties of N'-[(Z)-2-methylbut-1-enyl]methanimidamide?
N'-[(Z)-2-methylbut-1-enyl]methanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-methylbut-1-enyl]methanimidamide is sourced from PubChem (CID 142915722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).