(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine

C10H16N2 — CID 58708867

IUPAC(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine
SMILESC/C=C\C=N\CC/N=C/C=C\C
InChIInChI=1S/C10H16N2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-8H,9-10H2,1-2H3/b5-3-,6-4-,11-7+,12-8+
InChIKeyVTDMBPZWWRASAP-MDYHIBMKSA-N
MW164.25 g/mol
LogP2.28
Rot. Bonds5

About (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine

(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine (PubChem CID 58708867) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine
PubChem CID58708867
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine
SMILESC/C=C\C=N\CC/N=C/C=C\C
InChIInChI=1S/C10H16N2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-8H,9-10H2,1-2H3/b5-3-,6-4-,11-7+,12-8+
InChIKeyVTDMBPZWWRASAP-MDYHIBMKSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(E)-5-Azahepta-2,4-diene
CID 5463161
N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
CID 49866444
(E)-N-propylbut-2-en-1-imine
CID 10866289
Acetonitrile, 2-[2-butenylidene amino]
CID 5365737
N-ethylbut-2-en-1-imine
CID 138000
(E)-N-methylbut-2-en-1-imine
CID 12475950
(Z)-N-methylbut-2-en-1-imine
CID 53971588
N-methylbut-2-en-1-imine
CID 53971589
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-methylprop-2-en-1-imine;penta-1,3-diene
CID 54302890
ethane;2H-pyrrole
CID 54316325

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine (CID 58708867) is (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine is C/C=C\C=N\CC/N=C/C=C\C.
What is the InChIKey of (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine?
The InChIKey is VTDMBPZWWRASAP-MDYHIBMKSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-8H,9-10H2,1-2H3/b5-3-,6-4-,11-7+,12-8+.
What are the key properties of (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine?
(Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine has a molecular weight of 164.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[[(Z)-but-2-enylidene]amino]ethyl]but-2-en-1-imine is sourced from PubChem (CID 58708867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).