tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate

C14H28N2O2 — CID 63318559

IUPACtert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
SMILESCN(CCNCC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)11-15-9-10-16(4)12-7-5-6-8-12/h12,15H,5-11H2,1-4H3
InChIKeyFXHAKJLTIGSTHG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds6

About tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate

tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate (PubChem CID 63318559) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
PubChem CID63318559
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
SMILESCN(CCNCC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)11-15-9-10-16(4)12-7-5-6-8-12/h12,15H,5-11H2,1-4H3
InChIKeyFXHAKJLTIGSTHG-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate
CID 91335990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate (CID 63318559) is tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate is CN(CCNCC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate?
The InChIKey is FXHAKJLTIGSTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)11-15-9-10-16(4)12-7-5-6-8-12/h12,15H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate?
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate is sourced from PubChem (CID 63318559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).