8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide

C14H28BrNO2 — CID 141499392

IUPAC8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)OCCCCCCCCN(C)C
InChIInChI=1S/C14H27NO2.BrH/c1-13(2)14(16)17-12-10-8-6-5-7-9-11-15(3)4;/h1,5-12H2,2-4H3;1H
InChIKeyBEVSWCZVNAUQKS-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.59
Rot. Bonds10

About 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide

8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide (PubChem CID 141499392) has the molecular formula C14H28BrNO2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide.

Molecular Properties

Compound Name8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
PubChem CID141499392
Molecular FormulaC14H28BrNO2
Molecular Weight322.29 g/mol
Exact Mass321.13
IUPAC Name8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)OCCCCCCCCN(C)C
InChIInChI=1S/C14H27NO2.BrH/c1-13(2)14(16)17-12-10-8-6-5-7-9-11-15(3)4;/h1,5-12H2,2-4H3;1H
InChIKeyBEVSWCZVNAUQKS-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide?
The IUPAC name of 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide (CID 141499392) is 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide.
What is the SMILES notation for 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide?
The canonical SMILES for 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide is Br.C=C(C)C(=O)OCCCCCCCCN(C)C.
What is the InChIKey of 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide?
The InChIKey is BEVSWCZVNAUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.BrH/c1-13(2)14(16)17-12-10-8-6-5-7-9-11-15(3)4;/h1,5-12H2,2-4H3;1H.
What are the key properties of 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide?
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide has a molecular weight of 322.29 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide is sourced from PubChem (CID 141499392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).