tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate

C13H26N2O2 — CID 124603858

IUPACtert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CC[C@H](CN)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)7-6-10(15)8-14/h10H,6-9,14H2,1-5H3/t10-/m1/s1
InChIKeyAFDRPUVHNFKDEK-SNVBAGLBSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate

tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate (PubChem CID 124603858) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
PubChem CID124603858
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CC[C@H](CN)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)7-6-10(15)8-14/h10H,6-9,14H2,1-5H3/t10-/m1/s1
InChIKeyAFDRPUVHNFKDEK-SNVBAGLBSA-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)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 155291086
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (8S)-8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 71743237
tert-butyl 8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 78166496
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
CID 155820435
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
CID 99794930
tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
CID 7145120
tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate
CID 168743098

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate (CID 124603858) is tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate is CC1(C)CC[C@H](CN)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate?
The InChIKey is AFDRPUVHNFKDEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-13(4,5)7-6-10(15)8-14/h10H,6-9,14H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate?
tert-butyl (2R)-2-(aminomethyl)-5,5-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)-5,5-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 124603858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).