tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate

C13H28N2O2 — CID 103249343

IUPACtert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
SMILESCC(C)N(C)CCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(6)10-9-14-8-7-12(16)17-13(3,4)5/h11,14H,7-10H2,1-6H3
InChIKeyFYPBSLKXGAUWLI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds7

About tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate

tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate (PubChem CID 103249343) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
PubChem CID103249343
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
SMILESCC(C)N(C)CCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(6)10-9-14-8-7-12(16)17-13(3,4)5/h11,14H,7-10H2,1-6H3
InChIKeyFYPBSLKXGAUWLI-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130
tert-butyl 3-(7-methyloctylamino)propanoate
CID 114004290
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 3-(4-hydroxybutylamino)propanoate
CID 106842831
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668
tert-butyl 3-[(5-amino-5-oxopentyl)amino]propanoate
CID 106238269
3-methylpentan-3-yl 3-[[3-(3-methylpentan-3-yloxy)-3-oxopropyl]amino]propanoate
CID 88896052
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate?
The IUPAC name of tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate (CID 103249343) is tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate?
The canonical SMILES for tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate is CC(C)N(C)CCNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate?
The InChIKey is FYPBSLKXGAUWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)15(6)10-9-14-8-7-12(16)17-13(3,4)5/h11,14H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate?
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate is sourced from PubChem (CID 103249343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).