dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium

C10H21N2O+ — CID 54402027

IUPACdimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium
SMILESCC=C(C)C(=O)[N+](C)(C)NCCC
InChIInChI=1S/C10H21N2O/c1-6-8-11-12(4,5)10(13)9(3)7-2/h7,11H,6,8H2,1-5H3/q+1
InChIKeyQUFKWISKCYRYGZ-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.47
Rot. Bonds4

About dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium

dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium (PubChem CID 54402027) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium.

Molecular Properties

Compound Namedimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium
PubChem CID54402027
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Namedimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium
SMILESCC=C(C)C(=O)[N+](C)(C)NCCC
InChIInChI=1S/C10H21N2O/c1-6-8-11-12(4,5)10(13)9(3)7-2/h7,11H,6,8H2,1-5H3/q+1
InChIKeyQUFKWISKCYRYGZ-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 ≤ 102

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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Related Compounds

Trimethyl-[(2-methylprop-2-enoylamino)-propylamino]azanium
CID 17820723
Dimethyl-(2-methylprop-2-enoylamino)-propylazanium chloride
CID 21751388
Dimethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 21751389
N-butyl-N',2-dimethylprop-2-enehydrazide
CID 22336369
Diethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 53763599
Ethyl-dimethyl-(2-methylprop-2-enoylamino)azanium
CID 53829124
But-2-enoyl-dimethyl-(propylamino)azanium
CID 54013485
2,4-dimethyl-1H-pyridazine-3,6-dione
CID 59539256
2-methyl-N,N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87197114
N-ethyl-2-methyl-N'-propylprop-2-enehydrazide
CID 87503750
N'-butyl-N-ethyl-2-methylprop-2-enehydrazide
CID 87503812
2-methyl-N,N'-dipropylprop-2-enehydrazide
CID 87503830

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium?
The IUPAC name of dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium (CID 54402027) is dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium.
What is the SMILES notation for dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium?
The canonical SMILES for dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium is CC=C(C)C(=O)[N+](C)(C)NCCC.
What is the InChIKey of dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium?
The InChIKey is QUFKWISKCYRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-6-8-11-12(4,5)10(13)9(3)7-2/h7,11H,6,8H2,1-5H3/q+1.
What are the key properties of dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium?
dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium has a molecular weight of 185.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium is sourced from PubChem (CID 54402027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).