N-(2-methylprop-1-enyl)ethanimine

C6H11N — CID 15632338

IUPACN-(2-methylprop-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C
InChIInChI=1S/C6H11N/c1-4-7-5-6(2)3/h4-5H,1-3H3/b7-4+
InChIKeyAFWSXFODINFEOV-QPJJXVBHSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds1

About N-(2-methylprop-1-enyl)ethanimine

N-(2-methylprop-1-enyl)ethanimine (PubChem CID 15632338) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)ethanimine
PubChem CID15632338
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-(2-methylprop-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C
InChIInChI=1S/C6H11N/c1-4-7-5-6(2)3/h4-5H,1-3H3/b7-4+
InChIKeyAFWSXFODINFEOV-QPJJXVBHSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)ethanimine?
The IUPAC name of N-(2-methylprop-1-enyl)ethanimine (CID 15632338) is N-(2-methylprop-1-enyl)ethanimine.
What is the SMILES notation for N-(2-methylprop-1-enyl)ethanimine?
The canonical SMILES for N-(2-methylprop-1-enyl)ethanimine is C/C=N/C=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)ethanimine?
The InChIKey is AFWSXFODINFEOV-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N/c1-4-7-5-6(2)3/h4-5H,1-3H3/b7-4+.
What are the key properties of N-(2-methylprop-1-enyl)ethanimine?
N-(2-methylprop-1-enyl)ethanimine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)ethanimine is sourced from PubChem (CID 15632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).