[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium

C10H21N2+ — CID 90476399

IUPAC[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium
SMILESC=CC(C)N[N+](C)(C)C/C=C/C
InChIInChI=1S/C10H21N2/c1-6-8-9-12(4,5)11-10(3)7-2/h6-8,10-11H,2,9H2,1,3-5H3/q+1/b8-6+
InChIKeyCRWOFGDZWCHYDC-SOFGYWHQSA-N
MW169.29 g/mol
LogP1.72
Rot. Bonds5

About [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium

[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium (PubChem CID 90476399) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium.

Molecular Properties

Compound Name[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium
PubChem CID90476399
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium
SMILESC=CC(C)N[N+](C)(C)C/C=C/C
InChIInChI=1S/C10H21N2/c1-6-8-9-12(4,5)11-10(3)7-2/h6-8,10-11H,2,9H2,1,3-5H3/q+1/b8-6+
InChIKeyCRWOFGDZWCHYDC-SOFGYWHQSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium?
The IUPAC name of [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium (CID 90476399) is [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium.
What is the SMILES notation for [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium?
The canonical SMILES for [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium is C=CC(C)N[N+](C)(C)C/C=C/C.
What is the InChIKey of [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium?
The InChIKey is CRWOFGDZWCHYDC-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H21N2/c1-6-8-9-12(4,5)11-10(3)7-2/h6-8,10-11H,2,9H2,1,3-5H3/q+1/b8-6+.
What are the key properties of [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium?
[(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium has a molecular weight of 169.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-(but-3-en-2-ylamino)-dimethylazanium is sourced from PubChem (CID 90476399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).