N-but-2-enylethanimine

C6H11N — CID 123428692

IUPACN-but-2-enylethanimine
SMILESCC=CC/N=C/C
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h3-5H,6H2,1-2H3/b5-3?,7-4+
InChIKeyYHUBONQECZJTOO-WWSNNFSYSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds2

About N-but-2-enylethanimine

N-but-2-enylethanimine (PubChem CID 123428692) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-but-2-enylethanimine.

Molecular Properties

Compound NameN-but-2-enylethanimine
PubChem CID123428692
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-but-2-enylethanimine
SMILESCC=CC/N=C/C
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h3-5H,6H2,1-2H3/b5-3?,7-4+
InChIKeyYHUBONQECZJTOO-WWSNNFSYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
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'}

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enylethanimine?
The IUPAC name of N-but-2-enylethanimine (CID 123428692) is N-but-2-enylethanimine.
What is the SMILES notation for N-but-2-enylethanimine?
The canonical SMILES for N-but-2-enylethanimine is CC=CC/N=C/C.
What is the InChIKey of N-but-2-enylethanimine?
The InChIKey is YHUBONQECZJTOO-WWSNNFSYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-6-7-4-2/h3-5H,6H2,1-2H3/b5-3?,7-4+.
What are the key properties of N-but-2-enylethanimine?
N-but-2-enylethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enylethanimine is sourced from PubChem (CID 123428692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).