N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide

C11H20N2 — CID 134243981

IUPACN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10(5)7-13-11(12-6)9(3)4/h7-9H,6H2,1-5H3/b10-7+,13-11-
InChIKeyXWHJYSWYHMAUEW-LFZMHEMLSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds3

About N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide

N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide (PubChem CID 134243981) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
PubChem CID134243981
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10(5)7-13-11(12-6)9(3)4/h7-9H,6H2,1-5H3/b10-7+,13-11-
InChIKeyXWHJYSWYHMAUEW-LFZMHEMLSA-N
XLogP3.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
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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Related Compounds

2-methyl-5-propan-2-yl-4H-pyrimidin-4-ide;yttrium
CID 57603264
2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
CID 126603063
N-[(E)-2,3-dimethylbut-1-enyl]propan-1-imine
CID 129259985
3-methyl-N-methylidene-N'-(2-methylprop-1-enyl)butanimidamide
CID 131976933
N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
CID 135210358
2-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylidenepropanimidamide
CID 135213129
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
2,5,5,6-Tetramethyl-1,3-diazepine
CID 142240687
N-ethylidene-N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 142993068
ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 143637084
2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide
CID 155370833
N-[(E)-2,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 155416252

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide?
The IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide (CID 134243981) is N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide.
What is the SMILES notation for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide?
The canonical SMILES for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide is C=N/C(=N\C=C(/C)C(C)C)C(C)C.
What is the InChIKey of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide?
The InChIKey is XWHJYSWYHMAUEW-LFZMHEMLSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10(5)7-13-11(12-6)9(3)4/h7-9H,6H2,1-5H3/b10-7+,13-11-.
What are the key properties of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide?
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide is sourced from PubChem (CID 134243981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).