ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium

C8H17N2+ — CID 88931741

IUPACethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium
SMILESC=[N+](/C=C\N(C)CC)CC
InChIInChI=1S/C8H17N2/c1-5-9(3)7-8-10(4)6-2/h7-8H,3,5-6H2,1-2,4H3/q+1/b8-7-
InChIKeyHMFRILZAJDANET-FPLPWBNLSA-N
MW141.24 g/mol
LogP1.14
Rot. Bonds4

About ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium

ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium (PubChem CID 88931741) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium.

Molecular Properties

Compound Nameethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium
PubChem CID88931741
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Nameethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium
SMILESC=[N+](/C=C\N(C)CC)CC
InChIInChI=1S/C8H17N2/c1-5-9(3)7-8-10(4)6-2/h7-8H,3,5-6H2,1-2,4H3/q+1/b8-7-
InChIKeyHMFRILZAJDANET-FPLPWBNLSA-N
XLogP1.14
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
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-[ethyl(methyl)amino]ethenyl]-methylideneazanium?
The IUPAC name of ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium (CID 88931741) is ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium.
What is the SMILES notation for ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium?
The canonical SMILES for ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium is C=[N+](/C=C\N(C)CC)CC.
What is the InChIKey of ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium?
The InChIKey is HMFRILZAJDANET-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H17N2/c1-5-9(3)7-8-10(4)6-2/h7-8H,3,5-6H2,1-2,4H3/q+1/b8-7-.
What are the key properties of ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium?
ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium has a molecular weight of 141.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(Z)-2-[ethyl(methyl)amino]ethenyl]-methylideneazanium is sourced from PubChem (CID 88931741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).