N-(2,3-dimethylbut-2-enyl)methanimine

C7H13N — CID 91026266

IUPACN-(2,3-dimethylbut-2-enyl)methanimine
SMILESC=NCC(C)=C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h4-5H2,1-3H3
InChIKeyDXCQAAYEHYBXRT-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds2

About N-(2,3-dimethylbut-2-enyl)methanimine

N-(2,3-dimethylbut-2-enyl)methanimine (PubChem CID 91026266) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(2,3-dimethylbut-2-enyl)methanimine.

Molecular Properties

Compound NameN-(2,3-dimethylbut-2-enyl)methanimine
PubChem CID91026266
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(2,3-dimethylbut-2-enyl)methanimine
SMILESC=NCC(C)=C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h4-5H2,1-3H3
InChIKeyDXCQAAYEHYBXRT-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylbut-2-enyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylprop-2-enyl)methanimine
CID 20769493
N-(3-methylbut-2-enyl)methanimine
CID 123442773
ethane;N-(2-methylprop-2-enyl)methanimine
CID 145685198
N-[(E)-2-methylbut-2-enyl]methanimine
CID 153667875
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
N-(2-methylbut-2-enyl)methanimine
CID 143348566

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbut-2-enyl)methanimine?
The IUPAC name of N-(2,3-dimethylbut-2-enyl)methanimine (CID 91026266) is N-(2,3-dimethylbut-2-enyl)methanimine.
What is the SMILES notation for N-(2,3-dimethylbut-2-enyl)methanimine?
The canonical SMILES for N-(2,3-dimethylbut-2-enyl)methanimine is C=NCC(C)=C(C)C.
What is the InChIKey of N-(2,3-dimethylbut-2-enyl)methanimine?
The InChIKey is DXCQAAYEHYBXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7(3)5-8-4/h4-5H2,1-3H3.
What are the key properties of N-(2,3-dimethylbut-2-enyl)methanimine?
N-(2,3-dimethylbut-2-enyl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbut-2-enyl)methanimine is sourced from PubChem (CID 91026266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).