N-but-2-en-2-ylethanimine

C6H11N — CID 20749343

IUPACN-but-2-en-2-ylethanimine
SMILESCC=C(C)/N=C/C
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4?,7-5+
InChIKeyNLSCTGPMQPJAJD-PKSVUWDWSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds1

About N-but-2-en-2-ylethanimine

N-but-2-en-2-ylethanimine (PubChem CID 20749343) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-but-2-en-2-ylethanimine.

Molecular Properties

Compound NameN-but-2-en-2-ylethanimine
PubChem CID20749343
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-but-2-en-2-ylethanimine
SMILESCC=C(C)/N=C/C
InChIInChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4?,7-5+
InChIKeyNLSCTGPMQPJAJD-PKSVUWDWSA-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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Related Compounds

N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
CID 142931568
(E)-2-fluoro-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144406116
(E)-N-[(Z)-but-2-en-2-yl]-2-fluorobut-2-en-1-imine
CID 155440212
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine
CID 143182236
N-[(Z)-1-fluorobut-2-en-2-yl]propan-1-imine
CID 144360691
N-prop-1-en-2-ylethanimine
CID 13099162

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-ylethanimine?
The IUPAC name of N-but-2-en-2-ylethanimine (CID 20749343) is N-but-2-en-2-ylethanimine.
What is the SMILES notation for N-but-2-en-2-ylethanimine?
The canonical SMILES for N-but-2-en-2-ylethanimine is CC=C(C)/N=C/C.
What is the InChIKey of N-but-2-en-2-ylethanimine?
The InChIKey is NLSCTGPMQPJAJD-PKSVUWDWSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(3)7-5-2/h4-5H,1-3H3/b6-4?,7-5+.
What are the key properties of N-but-2-en-2-ylethanimine?
N-but-2-en-2-ylethanimine 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-but-2-en-2-ylethanimine is sourced from PubChem (CID 20749343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).