ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate

C15H27N3O2 — CID 59250055

IUPACethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCNCCNCCCc1[nH]cc(C)c1C(=O)OCC
InChIInChI=1S/C15H27N3O2/c1-4-16-9-10-17-8-6-7-13-14(12(3)11-18-13)15(19)20-5-2/h11,16-18H,4-10H2,1-3H3
InChIKeyHZENMBNZTYJHHH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.63
Rot. Bonds10

About ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate

ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 59250055) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID59250055
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCNCCNCCCc1[nH]cc(C)c1C(=O)OCC
InChIInChI=1S/C15H27N3O2/c1-4-16-9-10-17-8-6-7-13-14(12(3)11-18-13)15(19)20-5-2/h11,16-18H,4-10H2,1-3H3
InChIKeyHZENMBNZTYJHHH-UHFFFAOYSA-N
XLogP1.63
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230
diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 134861602
ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 59375995
ethyl 2-(4-bromophenyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 53254198
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731
diethyl 2-[4-(ethylamino)butyl]propanedioate
CID 118595670
2-ethoxycarbonyl-4-methylbenzene-1,3-dicarboxylic acid
CID 157327254
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
ethyl 2,6-dimethylbenzoate
CID 520807
3-acetamido-2-ethoxycarbonyl-6-methylbenzoic acid
CID 66793341

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 59250055) is ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate is CCNCCNCCCc1[nH]cc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is HZENMBNZTYJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-16-9-10-17-8-6-7-13-14(12(3)11-18-13)15(19)20-5-2/h11,16-18H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate?
ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 59250055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).