N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine

C8H14N2 — CID 122667549

IUPACN-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
SMILESC/C=N/C=C\N=C\CCC
InChIInChI=1S/C8H14N2/c1-3-5-6-10-8-7-9-4-2/h4,6-8H,3,5H2,1-2H3/b8-7-,9-4+,10-6+
InChIKeyLROATTHXODIIDP-LPNYRUNISA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds4

About N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine

N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine (PubChem CID 122667549) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
PubChem CID122667549
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
SMILESC/C=N/C=C\N=C\CCC
InChIInChI=1S/C8H14N2/c1-3-5-6-10-8-7-9-4-2/h4,6-8H,3,5H2,1-2H3/b8-7-,9-4+,10-6+
InChIKeyLROATTHXODIIDP-LPNYRUNISA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 53438770
N-ethenyl-2-fluoropropan-1-imine
CID 89822850
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CID 13099159
N-ethenyl-2-methylpropan-1-imine
CID 14792733
1,4,7,10,13,16-Hexazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 85593305
N,N'-bis(ethenyl)ethane-1,2-diimine
CID 88267065
N-[(Z)-2-(ethylideneamino)ethenyl]ethanimine
CID 88583063
2-N-ethenyl-1-N-methylpropane-1,2-diimine
CID 88929902
N-ethenylpentan-1-imine
CID 89064377
N-[(1Z)-penta-1,3,4-trienyl]propan-1-imine
CID 89125137
N-[(1Z)-buta-1,3-dienyl]butan-1-imine
CID 89371314
N-ethenyl-N'-propan-2-ylethane-1,2-diimine
CID 89423960

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine (CID 122667549) is N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine is C/C=N/C=C\N=C\CCC.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine?
The InChIKey is LROATTHXODIIDP-LPNYRUNISA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-6-10-8-7-9-4-2/h4,6-8H,3,5H2,1-2H3/b8-7-,9-4+,10-6+.
What are the key properties of N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine?
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine has a molecular weight of 138.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine is sourced from PubChem (CID 122667549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).