tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate

C14H28N2O2 — CID 84708892

IUPACtert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate
SMILESCNC(C)(C)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-8-7-11(10-16)9-14(4,5)15-6/h11,15H,7-10H2,1-6H3
InChIKeyZQLOUHHYEWRRBB-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate (PubChem CID 84708892) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate
PubChem CID84708892
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate
SMILESCNC(C)(C)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-8-7-11(10-16)9-14(4,5)15-6/h11,15H,7-10H2,1-6H3
InChIKeyZQLOUHHYEWRRBB-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate (CID 84708892) is tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate is CNC(C)(C)CC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is ZQLOUHHYEWRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-8-7-11(10-16)9-14(4,5)15-6/h11,15H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 84708892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).