[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium

C12H24N3+ — CID 132567882

IUPAC[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium
SMILESCCN(C)c1c(N(C)CC)c1=[N+](C)CC
InChIInChI=1S/C12H24N3/c1-7-13(4)10-11(14(5)8-2)12(10)15(6)9-3/h7-9H2,1-6H3/q+1
InChIKeySYLFUVHKLOMZIC-UHFFFAOYSA-N
MW210.34 g/mol
LogP0.90
Rot. Bonds5

About [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium

[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium (PubChem CID 132567882) has the molecular formula C12H24N3+ and a molecular weight of 210.34 g/mol. Its IUPAC name is [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium.

Molecular Properties

Compound Name[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium
PubChem CID132567882
Molecular FormulaC12H24N3+
Molecular Weight210.34 g/mol
Exact Mass210.20
IUPAC Name[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium
SMILESCCN(C)c1c(N(C)CC)c1=[N+](C)CC
InChIInChI=1S/C12H24N3/c1-7-13(4)10-11(14(5)8-2)12(10)15(6)9-3/h7-9H2,1-6H3/q+1
InChIKeySYLFUVHKLOMZIC-UHFFFAOYSA-N
XLogP0.90
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium?
The IUPAC name of [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium (CID 132567882) is [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium.
What is the SMILES notation for [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium?
The canonical SMILES for [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium is CCN(C)c1c(N(C)CC)c1=[N+](C)CC.
What is the InChIKey of [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium?
The InChIKey is SYLFUVHKLOMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3/c1-7-13(4)10-11(14(5)8-2)12(10)15(6)9-3/h7-9H2,1-6H3/q+1.
What are the key properties of [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium?
[2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium has a molecular weight of 210.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[ethyl(methyl)amino]cycloprop-2-en-1-ylidene]-ethyl-methylazanium is sourced from PubChem (CID 132567882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).