tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate

C14H28N2O3 — CID 106636992

IUPACtert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate
SMILESCCOCCNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-5-18-10-8-15-11-12-7-6-9-16(12)13(17)19-14(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyDUNWAMCJXOWJNM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds6

About tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 106636992) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID106636992
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate
SMILESCCOCCNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-5-18-10-8-15-11-12-7-6-9-16(12)13(17)19-14(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyDUNWAMCJXOWJNM-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[2-(2-methylpropoxy)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106639475
tert-butyl 2-[(2-carbamoyloxyethylamino)methyl]pyrrolidine-1-carboxylate
CID 106639183
tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392
tert-butyl 2-[2-(2-ethoxyethylamino)propyl]pyrrolidine-1-carboxylate
CID 79537441
tert-butyl 2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106427113
tert-butyl 2-[(5-hydroxypentylamino)methyl]pyrrolidine-1-carboxylate
CID 107316734
tert-butyl 2-[(pent-4-ynylamino)methyl]pyrrolidine-1-carboxylate
CID 106220536
tert-butyl 2-[[(5-amino-5-oxopentyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106234160
tert-butyl 2-[(pent-3-ynylamino)methyl]pyrrolidine-1-carboxylate
CID 106639489
tert-butyl 2-[(3-ethenoxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636771
tert-butyl 2-[(3-hydroxypropylamino)methyl]piperidine-1-carboxylate
CID 106633029
tert-butyl 2-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106275152

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate (CID 106636992) is tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate is CCOCCNCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is DUNWAMCJXOWJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-18-10-8-15-11-12-7-6-9-16(12)13(17)19-14(2,3)4/h12,15H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 106636992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).