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

C12H26N2O2 — CID 62641218

IUPACtert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
SMILESCC(C)N(C)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(6)8-7-13-9-11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyHCMISMNYZRQNTG-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds6

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

tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate (PubChem CID 62641218) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
PubChem CID62641218
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
SMILESCC(C)N(C)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)14(6)8-7-13-9-11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3
InChIKeyHCMISMNYZRQNTG-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
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 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
ditert-butyl (2S)-2-[bis[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]butanedioate
CID 171651010
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
tert-butyl 2-[2-[(2-ethoxy-2-oxoethyl)-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]ethylamino]acetate
CID 139519561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate (CID 62641218) is tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate is CC(C)N(C)CCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate?
The InChIKey is HCMISMNYZRQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)14(6)8-7-13-9-11(15)16-12(3,4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate?
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 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-[methyl(propan-2-yl)amino]ethylamino]acetate is sourced from PubChem (CID 62641218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).