butyl 3-(ethylamino)pyrrolidine-1-carboxylate

C11H22N2O2 — CID 69158445

IUPACbutyl 3-(ethylamino)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NCC)C1
InChIInChI=1S/C11H22N2O2/c1-3-5-8-15-11(14)13-7-6-10(9-13)12-4-2/h10,12H,3-9H2,1-2H3
InChIKeyLTQNSJMYPSQHLN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds5

About butyl 3-(ethylamino)pyrrolidine-1-carboxylate

butyl 3-(ethylamino)pyrrolidine-1-carboxylate (PubChem CID 69158445) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl 3-(ethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-(ethylamino)pyrrolidine-1-carboxylate
PubChem CID69158445
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl 3-(ethylamino)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NCC)C1
InChIInChI=1S/C11H22N2O2/c1-3-5-8-15-11(14)13-7-6-10(9-13)12-4-2/h10,12H,3-9H2,1-2H3
InChIKeyLTQNSJMYPSQHLN-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 3-(methylamino)piperidine-1-carboxylate
CID 175723002
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
1-O-butyl 3-O-methyl 4-methylpiperidine-1,3-dicarboxylate
CID 67068549
butyl aziridine-1-carboxylate
CID 12641
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
butyl 4-[(2-cyanoacetyl)amino]piperidine-1-carboxylate
CID 108558979
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
butyl 3-aminoazetidine-1-carboxylate
CID 68600726

Frequently Asked Questions

What is the IUPAC name of butyl 3-(ethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of butyl 3-(ethylamino)pyrrolidine-1-carboxylate (CID 69158445) is butyl 3-(ethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 3-(ethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 3-(ethylamino)pyrrolidine-1-carboxylate is CCCCOC(=O)N1CCC(NCC)C1.
What is the InChIKey of butyl 3-(ethylamino)pyrrolidine-1-carboxylate?
The InChIKey is LTQNSJMYPSQHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-8-15-11(14)13-7-6-10(9-13)12-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of butyl 3-(ethylamino)pyrrolidine-1-carboxylate?
butyl 3-(ethylamino)pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(ethylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 69158445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).