butyl-bis(2-methylpropyl)-prop-2-enoylazanium

C15H30NO+ — CID 87269199

IUPACbutyl-bis(2-methylpropyl)-prop-2-enoylazanium
SMILESC=CC(=O)[N+](CCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H30NO/c1-7-9-10-16(11-13(3)4,12-14(5)6)15(17)8-2/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1
InChIKeyKFDYWDKETFUWIJ-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.63
Rot. Bonds8

About butyl-bis(2-methylpropyl)-prop-2-enoylazanium

butyl-bis(2-methylpropyl)-prop-2-enoylazanium (PubChem CID 87269199) has the molecular formula C15H30NO+ and a molecular weight of 240.41 g/mol. Its IUPAC name is butyl-bis(2-methylpropyl)-prop-2-enoylazanium.

Molecular Properties

Compound Namebutyl-bis(2-methylpropyl)-prop-2-enoylazanium
PubChem CID87269199
Molecular FormulaC15H30NO+
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Namebutyl-bis(2-methylpropyl)-prop-2-enoylazanium
SMILESC=CC(=O)[N+](CCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H30NO/c1-7-9-10-16(11-13(3)4,12-14(5)6)15(17)8-2/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1
InChIKeyKFDYWDKETFUWIJ-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl-prop-2-enoyl-propylazanium
CID 87268891
triethyl(prop-2-enoyl)azanium
CID 139635482
bis(tributyl(2-methylpropyl)azanium);carbonate
CID 175421775
hexadecyl-dimethyl-prop-2-enoylazanium bromide
CID 175184486
butyl-carboxy-diethylazanium
CID 18954159
dimethyl-octadecyl-(2-prop-2-enoyloxypropyl)azanium chloride
CID 87453745
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
pentane;prop-2-enamide
CID 139391622
4-methylnon-1-en-3-one
CID 24974485
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669

Frequently Asked Questions

What is the IUPAC name of butyl-bis(2-methylpropyl)-prop-2-enoylazanium?
The IUPAC name of butyl-bis(2-methylpropyl)-prop-2-enoylazanium (CID 87269199) is butyl-bis(2-methylpropyl)-prop-2-enoylazanium.
What is the SMILES notation for butyl-bis(2-methylpropyl)-prop-2-enoylazanium?
The canonical SMILES for butyl-bis(2-methylpropyl)-prop-2-enoylazanium is C=CC(=O)[N+](CCCC)(CC(C)C)CC(C)C.
What is the InChIKey of butyl-bis(2-methylpropyl)-prop-2-enoylazanium?
The InChIKey is KFDYWDKETFUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO/c1-7-9-10-16(11-13(3)4,12-14(5)6)15(17)8-2/h8,13-14H,2,7,9-12H2,1,3-6H3/q+1.
What are the key properties of butyl-bis(2-methylpropyl)-prop-2-enoylazanium?
butyl-bis(2-methylpropyl)-prop-2-enoylazanium has a molecular weight of 240.41 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis(2-methylpropyl)-prop-2-enoylazanium is sourced from PubChem (CID 87269199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).