tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane

C13H28N2O2 — CID 166086054

IUPACtert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
SMILESCC.CNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyJTZGDLJZKNKNCL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane

tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane (PubChem CID 166086054) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
PubChem CID166086054
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
SMILESCC.CNCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyJTZGDLJZKNKNCL-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane (CID 166086054) is tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane is CC.CNCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane?
The InChIKey is JTZGDLJZKNKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-2/h9,12H,5-8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane?
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane has a molecular weight of 244.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane is sourced from PubChem (CID 166086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).