tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate

C13H26N2O2 — CID 99794930

IUPACtert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CN
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-7-13(4,5)10(15)9-14/h10H,6-9,14H2,1-5H3/t10-/m0/s1
InChIKeyFUFDASGMIVYLJZ-JTQLQIEISA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate

tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 99794930) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
PubChem CID99794930
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CN
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-7-13(4,5)10(15)9-14/h10H,6-9,14H2,1-5H3/t10-/m0/s1
InChIKeyFUFDASGMIVYLJZ-JTQLQIEISA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate
CID 141212446
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate
CID 170726765
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 155131478
tert-butyl 2-[(1-aminocyclopropyl)methyl]pyrrolidine-1-carboxylate
CID 84702069
tert-butyl 5-(aminomethyl)-2,3,4,5,5a,6,8,8a-octahydrofuro[3,4-b]azepine-1-carboxylate
CID 83920424
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl 5-(aminomethyl)-2-azabicyclo[3.1.1]heptane-2-carboxylate
CID 135393135
tert-butyl 2-(1-aminocyclopentyl)pyrrolidine-1-carboxylate
CID 115071770
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate (CID 99794930) is tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CN.
What is the InChIKey of tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is FUFDASGMIVYLJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-7-13(4,5)10(15)9-14/h10H,6-9,14H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 99794930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).