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

C7H13N — CID 149058651

IUPACN-[(E)-2,3-dimethylbut-1-enyl]methanimine
SMILESC=N/C=C(\C)C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5+
InChIKeyQLIIJWHZDZFMQK-FNORWQNLSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds2

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

N-[(E)-2,3-dimethylbut-1-enyl]methanimine (PubChem CID 149058651) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]methanimine
PubChem CID149058651
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]methanimine
SMILESC=N/C=C(\C)C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5+
InChIKeyQLIIJWHZDZFMQK-FNORWQNLSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 178114617
N-(3-methylbut-1-enyl)methanimine;yttrium
CID 59037956
N-(3-methylbut-1-enyl)methanimine;tungsten(2+)
CID 59671582
N-[(Z)-3-methylpent-1-enyl]methanimine
CID 89064206
N-(2-methylprop-1-enyl)methanimine
CID 91078328
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-(2-methylbut-1-enyl)methanimine
CID 123446549
N-(3-methylpent-1-enyl)methanimine
CID 123531552
N-(2,3-dimethylbut-1-enyl)ethanimine
CID 123561451

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]methanimine?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]methanimine (CID 149058651) is N-[(E)-2,3-dimethylbut-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]methanimine is C=N/C=C(\C)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]methanimine?
The InChIKey is QLIIJWHZDZFMQK-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]methanimine?
N-[(E)-2,3-dimethylbut-1-enyl]methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 2 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]methanimine is sourced from PubChem (CID 149058651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).