2-(dipentylamino)ethyl 2-methylprop-2-enoate

C16H31NO2 — CID 54255314

IUPAC2-(dipentylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCC)CCCCC
InChIInChI=1S/C16H31NO2/c1-5-7-9-11-17(12-10-8-6-2)13-14-19-16(18)15(3)4/h3,5-14H2,1-2,4H3
InChIKeyQZPNMGCDBMNEGL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.79
Rot. Bonds12

About 2-(dipentylamino)ethyl 2-methylprop-2-enoate

2-(dipentylamino)ethyl 2-methylprop-2-enoate (PubChem CID 54255314) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(dipentylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(dipentylamino)ethyl 2-methylprop-2-enoate
PubChem CID54255314
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(dipentylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCC)CCCCC
InChIInChI=1S/C16H31NO2/c1-5-7-9-11-17(12-10-8-6-2)13-14-19-16(18)15(3)4/h3,5-14H2,1-2,4H3
InChIKeyQZPNMGCDBMNEGL-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.79
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'}

Analyze 2-(dipentylamino)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-didodecyldodecan-1-amine;3-sulfonylpropyl 2-methylprop-2-enoate
CID 172722261
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
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
butyl 2-methylprop-2-enoate;2-(diethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate
CID 173140815
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
2-(dibutylamino)ethyl (4R)-4-amino-2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
CID 175332006
methane;nonyl 2-methylprop-2-enoate
CID 174847930

Frequently Asked Questions

What is the IUPAC name of 2-(dipentylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(dipentylamino)ethyl 2-methylprop-2-enoate (CID 54255314) is 2-(dipentylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(dipentylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(dipentylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCCCC)CCCCC.
What is the InChIKey of 2-(dipentylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is QZPNMGCDBMNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-7-9-11-17(12-10-8-6-2)13-14-19-16(18)15(3)4/h3,5-14H2,1-2,4H3.
What are the key properties of 2-(dipentylamino)ethyl 2-methylprop-2-enoate?
2-(dipentylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 269.43 g/mol, XLogP of 3.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipentylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54255314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).