1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium

C11H24N2+2 — CID 123900068

IUPAC1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
SMILESCC/C(C)=[N+](\C)C=C(C)[N+](C)(C)C
InChIInChI=1S/C11H24N2/c1-8-10(2)12(4)9-11(3)13(5,6)7/h9H,8H2,1-7H3/q+2/b11-9?,12-10+
InChIKeyAKACBKFUEGNPBP-UAMGIFDMSA-N
MW184.33 g/mol
LogP2.07
Rot. Bonds3

About 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium

1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium (PubChem CID 123900068) has the molecular formula C11H24N2+2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium.

Molecular Properties

Compound Name1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
PubChem CID123900068
Molecular FormulaC11H24N2+2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
SMILESCC/C(C)=[N+](\C)C=C(C)[N+](C)(C)C
InChIInChI=1S/C11H24N2/c1-8-10(2)12(4)9-11(3)13(5,6)7/h9H,8H2,1-7H3/q+2/b11-9?,12-10+
InChIKeyAKACBKFUEGNPBP-UAMGIFDMSA-N
XLogP2.07
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Trimethyl-1,2-dihydropyrazine
CID 45087193
1,2,3,6-tetramethyl-2H-pyrazine
CID 67745664
1,2,3,5-tetramethyl-2H-pyrazine
CID 70381448
2,3,5-trimethyl-1-prop-1-enyl-2H-pyrazine
CID 86055709
3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
CID 91163840
(Z)-2-(butan-2-ylideneamino)-N-methylprop-1-en-1-amine
CID 117957547
N,N-dimethyl-2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 118370069
N-ethenyl-N-methyl-1-(propylideneamino)prop-1-en-2-amine
CID 123782593
(Z)-2-(but-3-en-2-ylideneamino)-N,N-dimethylprop-1-en-1-amine
CID 134467495
6-ethyl-2,3-dimethyl-1-prop-1-en-2-yl-2H-pyrazine
CID 139314202
ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine
CID 142130307
N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
CID 142257797

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium?
The IUPAC name of 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium (CID 123900068) is 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium.
What is the SMILES notation for 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium?
The canonical SMILES for 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium is CC/C(C)=[N+](\C)C=C(C)[N+](C)(C)C.
What is the InChIKey of 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium?
The InChIKey is AKACBKFUEGNPBP-UAMGIFDMSA-N. The full InChI is InChI=1S/C11H24N2/c1-8-10(2)12(4)9-11(3)13(5,6)7/h9H,8H2,1-7H3/q+2/b11-9?,12-10+.
What are the key properties of 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium?
1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium has a molecular weight of 184.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium is sourced from PubChem (CID 123900068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).