[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium

C9H19N2+ — CID 89075932

IUPAC[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\N(C)C(C)CC
InChIInChI=1S/C9H19N2/c1-6-9(2)11(5)8-7-10(3)4/h7-9H,3,6H2,1-2,4-5H3/q+1/b8-7-
InChIKeyTWYXAUKSSNDCHQ-FPLPWBNLSA-N
MW155.26 g/mol
LogP1.53
Rot. Bonds4

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

[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium (PubChem CID 89075932) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium
PubChem CID89075932
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Name[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium
SMILESC=[N+](C)/C=C\N(C)C(C)CC
InChIInChI=1S/C9H19N2/c1-6-9(2)11(5)8-7-10(3)4/h7-9H,3,6H2,1-2,4-5H3/q+1/b8-7-
InChIKeyTWYXAUKSSNDCHQ-FPLPWBNLSA-N
XLogP1.53
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.53
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-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The IUPAC name of [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium (CID 89075932) is [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium.
What is the SMILES notation for [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The canonical SMILES for [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium is C=[N+](C)/C=C\N(C)C(C)CC.
What is the InChIKey of [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium?
The InChIKey is TWYXAUKSSNDCHQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H19N2/c1-6-9(2)11(5)8-7-10(3)4/h7-9H,3,6H2,1-2,4-5H3/q+1/b8-7-.
What are the key properties of [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium?
[(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium has a molecular weight of 155.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[butan-2-yl(methyl)amino]ethenyl]-methyl-methylideneazanium is sourced from PubChem (CID 89075932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).