tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate

C13H26N2O2 — CID 105416864

IUPACtert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
SMILESCN(C)C1(CNCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)9-14-10-13(15(4)5)7-6-8-13/h14H,6-10H2,1-5H3
InChIKeyRYDMJFFSTINTRS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds5

About tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate

tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate (PubChem CID 105416864) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
PubChem CID105416864
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
SMILESCN(C)C1(CNCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)9-14-10-13(15(4)5)7-6-8-13/h14H,6-10H2,1-5H3
InChIKeyRYDMJFFSTINTRS-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863
propan-2-yl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416997
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
N-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915425
tert-butyl 2-(cyanomethylamino)acetate
CID 91827792
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787
1-[(2-bromoprop-2-enylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 83121523
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The IUPAC name of tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate (CID 105416864) is tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate is CN(C)C1(CNCC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
The InChIKey is RYDMJFFSTINTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)9-14-10-13(15(4)5)7-6-8-13/h14H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate?
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate is sourced from PubChem (CID 105416864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).