triethyl-(2-methylprop-2-enoylamino)azanium

C10H21N2O+ — CID 19788941

IUPACtriethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](CC)(CC)CC
InChIInChI=1S/C10H20N2O/c1-6-12(7-2,8-3)11-10(13)9(4)5/h4,6-8H2,1-3,5H3/p+1
InChIKeyZHNWOVUOEHMKNR-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.47
Rot. Bonds5

About triethyl-(2-methylprop-2-enoylamino)azanium

triethyl-(2-methylprop-2-enoylamino)azanium (PubChem CID 19788941) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is triethyl-(2-methylprop-2-enoylamino)azanium.

Molecular Properties

Compound Nametriethyl-(2-methylprop-2-enoylamino)azanium
PubChem CID19788941
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nametriethyl-(2-methylprop-2-enoylamino)azanium
SMILESC=C(C)C(=O)N[N+](CC)(CC)CC
InChIInChI=1S/C10H20N2O/c1-6-12(7-2,8-3)11-10(13)9(4)5/h4,6-8H2,1-3,5H3/p+1
InChIKeyZHNWOVUOEHMKNR-UHFFFAOYSA-O
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 triethyl-(2-methylprop-2-enoylamino)azanium?
The IUPAC name of triethyl-(2-methylprop-2-enoylamino)azanium (CID 19788941) is triethyl-(2-methylprop-2-enoylamino)azanium.
What is the SMILES notation for triethyl-(2-methylprop-2-enoylamino)azanium?
The canonical SMILES for triethyl-(2-methylprop-2-enoylamino)azanium is C=C(C)C(=O)N[N+](CC)(CC)CC.
What is the InChIKey of triethyl-(2-methylprop-2-enoylamino)azanium?
The InChIKey is ZHNWOVUOEHMKNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-6-12(7-2,8-3)11-10(13)9(4)5/h4,6-8H2,1-3,5H3/p+1.
What are the key properties of triethyl-(2-methylprop-2-enoylamino)azanium?
triethyl-(2-methylprop-2-enoylamino)azanium has a molecular weight of 185.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-methylprop-2-enoylamino)azanium is sourced from PubChem (CID 19788941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).