N-[(E)-but-1-enyl]ethanimine

C6H11N — CID 147915693

IUPACN-[(E)-but-1-enyl]ethanimine
SMILESC/C=N/C=C/CC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h4-6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyIHADATVPXZZXNI-HVUXDCMCSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

About N-[(E)-but-1-enyl]ethanimine

N-[(E)-but-1-enyl]ethanimine (PubChem CID 147915693) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]ethanimine
PubChem CID147915693
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(E)-but-1-enyl]ethanimine
SMILESC/C=N/C=C/CC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h4-6H,3H2,1-2H3/b6-5+,7-4+
InChIKeyIHADATVPXZZXNI-HVUXDCMCSA-N
XLogP2.00
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 ≤ 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

ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
CID 143330512
(Z)-4-(ethylideneamino)but-3-en-1-amine
CID 89468696
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
[(E)-but-1-enyl]-ethyldiazene
CID 134995958
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
(E)-1-azidobut-1-ene
CID 131238126
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]ethanimine?
The IUPAC name of N-[(E)-but-1-enyl]ethanimine (CID 147915693) is N-[(E)-but-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-but-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-but-1-enyl]ethanimine is C/C=N/C=C/CC.
What is the InChIKey of N-[(E)-but-1-enyl]ethanimine?
The InChIKey is IHADATVPXZZXNI-HVUXDCMCSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-6-7-4-2/h4-6H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of N-[(E)-but-1-enyl]ethanimine?
N-[(E)-but-1-enyl]ethanimine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]ethanimine is sourced from PubChem (CID 147915693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).