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

C7H15N2+ — CID 143182664

IUPAC[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\N(C)CC
InChIInChI=1S/C7H15N2/c1-5-9(4)7-6-8(2)3/h6-7H,2,5H2,1,3-4H3/q+1/b7-6-
InChIKeyHXZBRZMWGKQCHW-SREVYHEPSA-N
MW127.21 g/mol
LogP0.75
Rot. Bonds3

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

[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium (PubChem CID 143182664) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium
PubChem CID143182664
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\N(C)CC
InChIInChI=1S/C7H15N2/c1-5-9(4)7-6-8(2)3/h6-7H,2,5H2,1,3-4H3/q+1/b7-6-
InChIKeyHXZBRZMWGKQCHW-SREVYHEPSA-N
XLogP0.75
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.75
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 [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The IUPAC name of [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium (CID 143182664) is [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium.
What is the SMILES notation for [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The canonical SMILES for [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium is C=[N+](C)/C=C\N(C)CC.
What is the InChIKey of [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The InChIKey is HXZBRZMWGKQCHW-SREVYHEPSA-N. The full InChI is InChI=1S/C7H15N2/c1-5-9(4)7-6-8(2)3/h6-7H,2,5H2,1,3-4H3/q+1/b7-6-.
What are the key properties of [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium?
[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium has a molecular weight of 127.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium is sourced from PubChem (CID 143182664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).