tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate

C17H34N2O2 — CID 107244394

IUPACtert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCCC(C)CNCCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-6-8-14(2)13-18-11-10-15-9-7-12-19(15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyPPRSGTRWJGPBFM-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds7

About tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107244394) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID107244394
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCCC(C)CNCCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-6-8-14(2)13-18-11-10-15-9-7-12-19(15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyPPRSGTRWJGPBFM-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
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

tert-butyl 2-[2-[(3-methoxy-3-methylbutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244579
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-[2-(octan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244437
tert-butyl 2-[(2-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106633895
tert-butyl 2-(3-hydroxy-4-methylpentyl)pyrrolidine-1-carboxylate
CID 119054361
tert-butyl 2-[2-(1-ethylsulfonylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244540
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-[2-(1-cyclopropylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244471
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244446
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate (CID 107244394) is tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate is CCCC(C)CNCCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is PPRSGTRWJGPBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-8-14(2)13-18-11-10-15-9-7-12-19(15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-methylpentylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107244394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).