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

C8H14N2 — CID 135210358

IUPACN'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,4H2,1-3H3/b8-5+,10-6+
InChIKeyQDUZPBQAXXNWLC-YLDLMLGBSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds3

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

N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide (PubChem CID 135210358) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
PubChem CID135210358
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,4H2,1-3H3/b8-5+,10-6+
InChIKeyQDUZPBQAXXNWLC-YLDLMLGBSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
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

N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide
CID 147395961
N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]carbamimidoyl fluoride
CID 155038598
5-propan-2-yl-4H-pyrimidin-4-ide;yttrium
CID 58365271
N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
CID 88936329
N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide
CID 123712330
5-Propan-2-yl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126548681
N-[(Z)-2,3-dimethylbut-1-enyl]methanimine
CID 129099752
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
CID 134243981
2-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylidenepropanimidamide
CID 135213129
N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide
CID 135219650
N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
CID 138532983
N-ethylidene-N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 142993068

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide (CID 135210358) is N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C(\C)C(C)C.
What is the InChIKey of N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is QDUZPBQAXXNWLC-YLDLMLGBSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,4H2,1-3H3/b8-5+,10-6+.
What are the key properties of N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 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]-N-methylidenemethanimidamide is sourced from PubChem (CID 135210358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).