ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium

C8H17N2+ — CID 88931742

IUPACethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium
SMILESC/C=[N+](/C=C\NCC)CC
InChIInChI=1S/C8H17N2/c1-4-9-7-8-10(5-2)6-3/h5,7-9H,4,6H2,1-3H3/q+1/b8-7-,10-5+
InChIKeyJUTAMZUAIYRRFF-GBLFQTLVSA-N
MW141.24 g/mol
LogP1.19
Rot. Bonds4

About ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium

ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium (PubChem CID 88931742) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium.

Molecular Properties

Compound Nameethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium
PubChem CID88931742
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Nameethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium
SMILESC/C=[N+](/C=C\NCC)CC
InChIInChI=1S/C8H17N2/c1-4-9-7-8-10(5-2)6-3/h5,7-9H,4,6H2,1-3H3/q+1/b8-7-,10-5+
InChIKeyJUTAMZUAIYRRFF-GBLFQTLVSA-N
XLogP1.19
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium?
The IUPAC name of ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium (CID 88931742) is ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium.
What is the SMILES notation for ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium?
The canonical SMILES for ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium is C/C=[N+](/C=C\NCC)CC.
What is the InChIKey of ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium?
The InChIKey is JUTAMZUAIYRRFF-GBLFQTLVSA-N. The full InChI is InChI=1S/C8H17N2/c1-4-9-7-8-10(5-2)6-3/h5,7-9H,4,6H2,1-3H3/q+1/b8-7-,10-5+.
What are the key properties of ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium?
ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium has a molecular weight of 141.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium is sourced from PubChem (CID 88931742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).