[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide

C12H24BrNO2 — CID 173426333

IUPAC[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)ON(CCC)C(C)(C)CC
InChIInChI=1S/C12H23NO2.BrH/c1-7-9-13(12(5,6)8-2)15-11(14)10(3)4;/h3,7-9H2,1-2,4-6H3;1H
InChIKeyRDPIRDWMDIDIID-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.50
Rot. Bonds6

About [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide

[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide (PubChem CID 173426333) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide.

Molecular Properties

Compound Name[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide
PubChem CID173426333
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)ON(CCC)C(C)(C)CC
InChIInChI=1S/C12H23NO2.BrH/c1-7-9-13(12(5,6)8-2)15-11(14)10(3)4;/h3,7-9H2,1-2,4-6H3;1H
InChIKeyRDPIRDWMDIDIID-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(dipropylamino) 2-methylprop-2-enoate
CID 54482611
chloromethane;dimethylamino 2-methylprop-2-enoate
CID 172778476
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2-[2-[2-(dipropylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139824188

Frequently Asked Questions

What is the IUPAC name of [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide?
The IUPAC name of [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide (CID 173426333) is [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide.
What is the SMILES notation for [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide?
The canonical SMILES for [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide is Br.C=C(C)C(=O)ON(CCC)C(C)(C)CC.
What is the InChIKey of [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide?
The InChIKey is RDPIRDWMDIDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.BrH/c1-7-9-13(12(5,6)8-2)15-11(14)10(3)4;/h3,7-9H2,1-2,4-6H3;1H.
What are the key properties of [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide?
[2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide has a molecular weight of 294.23 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylbutan-2-yl(propyl)amino] 2-methylprop-2-enoate;hydrobromide is sourced from PubChem (CID 173426333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).