3-(dimethoxyamino)propyl 2-methylprop-2-enoate

C9H17NO4 — CID 163889892

IUPAC3-(dimethoxyamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(OC)OC
InChIInChI=1S/C9H17NO4/c1-8(2)9(11)14-7-5-6-10(12-3)13-4/h1,5-7H2,2-4H3
InChIKeyQAQPMSXOGVNDRR-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.92
Rot. Bonds7

About 3-(dimethoxyamino)propyl 2-methylprop-2-enoate

3-(dimethoxyamino)propyl 2-methylprop-2-enoate (PubChem CID 163889892) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(dimethoxyamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(dimethoxyamino)propyl 2-methylprop-2-enoate
PubChem CID163889892
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-(dimethoxyamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(OC)OC
InChIInChI=1S/C9H17NO4/c1-8(2)9(11)14-7-5-6-10(12-3)13-4/h1,5-7H2,2-4H3
InChIKeyQAQPMSXOGVNDRR-UHFFFAOYSA-N
XLogP0.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
[4-[bis[3-(2-methylprop-2-enoyloxy)propyl]amino]-4-oxobutyl] 2-methylprop-2-enoate
CID 87748178
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxyamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(dimethoxyamino)propyl 2-methylprop-2-enoate (CID 163889892) is 3-(dimethoxyamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(dimethoxyamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(dimethoxyamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(OC)OC.
What is the InChIKey of 3-(dimethoxyamino)propyl 2-methylprop-2-enoate?
The InChIKey is QAQPMSXOGVNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2)9(11)14-7-5-6-10(12-3)13-4/h1,5-7H2,2-4H3.
What are the key properties of 3-(dimethoxyamino)propyl 2-methylprop-2-enoate?
3-(dimethoxyamino)propyl 2-methylprop-2-enoate has a molecular weight of 203.24 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxyamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 163889892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).