(but-3-en-2-ylamino)-trimethylazanium

C7H17N2+ — CID 123908384

IUPAC(but-3-en-2-ylamino)-trimethylazanium
SMILESC=CC(C)N[N+](C)(C)C
InChIInChI=1S/C7H17N2/c1-6-7(2)8-9(3,4)5/h6-8H,1H2,2-5H3/q+1
InChIKeyNRAGPHIMVAPEHN-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.77
Rot. Bonds3

About (but-3-en-2-ylamino)-trimethylazanium

(but-3-en-2-ylamino)-trimethylazanium (PubChem CID 123908384) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is (but-3-en-2-ylamino)-trimethylazanium.

Molecular Properties

Compound Name(but-3-en-2-ylamino)-trimethylazanium
PubChem CID123908384
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name(but-3-en-2-ylamino)-trimethylazanium
SMILESC=CC(C)N[N+](C)(C)C
InChIInChI=1S/C7H17N2/c1-6-7(2)8-9(3,4)5/h6-8H,1H2,2-5H3/q+1
InChIKeyNRAGPHIMVAPEHN-UHFFFAOYSA-N
XLogP0.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.77
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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Related Compounds

1,3-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 143979789
(But-3-en-2-yl)hydrazine
CID 20337531
2-Hex-5-en-2-yl-1,1-dimethylhydrazine
CID 104655845
3-Methyl-1-vinyl-2,3-dihydro-1h-pyrazole
CID 129741426
1,1-Di(propan-2-yl)-2-prop-2-enylhydrazine
CID 134984671
1,6-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 167530640
2-But-3-enyl-1,1-dimethylhydrazine
CID 19367955
2,5-Dimethyl-1,5-dihydropyrazole
CID 21900373
Pent-1-en-3-ylhydrazine
CID 55280954
1,1-Dimethyl-2-pent-4-enylhydrazine
CID 57552144
1,1-Diethyl-2-prop-2-enylhydrazine
CID 87556317
2-Butan-2-yl-1,1-bis(prop-2-enyl)hydrazine
CID 88124510

Frequently Asked Questions

What is the IUPAC name of (but-3-en-2-ylamino)-trimethylazanium?
The IUPAC name of (but-3-en-2-ylamino)-trimethylazanium (CID 123908384) is (but-3-en-2-ylamino)-trimethylazanium.
What is the SMILES notation for (but-3-en-2-ylamino)-trimethylazanium?
The canonical SMILES for (but-3-en-2-ylamino)-trimethylazanium is C=CC(C)N[N+](C)(C)C.
What is the InChIKey of (but-3-en-2-ylamino)-trimethylazanium?
The InChIKey is NRAGPHIMVAPEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-6-7(2)8-9(3,4)5/h6-8H,1H2,2-5H3/q+1.
What are the key properties of (but-3-en-2-ylamino)-trimethylazanium?
(but-3-en-2-ylamino)-trimethylazanium has a molecular weight of 129.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (but-3-en-2-ylamino)-trimethylazanium is sourced from PubChem (CID 123908384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).