diaminomethyl 2,2-dimethylpropanoate

C6H14N2O2 — CID 163435332

IUPACdiaminomethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(N)N
InChIInChI=1S/C6H14N2O2/c1-6(2,3)4(9)10-5(7)8/h5H,7-8H2,1-3H3
InChIKeyATZYFVJECUEZGI-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.22
Rot. Bonds1

About diaminomethyl 2,2-dimethylpropanoate

diaminomethyl 2,2-dimethylpropanoate (PubChem CID 163435332) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is diaminomethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namediaminomethyl 2,2-dimethylpropanoate
PubChem CID163435332
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namediaminomethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(N)N
InChIInChI=1S/C6H14N2O2/c1-6(2,3)4(9)10-5(7)8/h5H,7-8H2,1-3H3
InChIKeyATZYFVJECUEZGI-UHFFFAOYSA-N
XLogP-0.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
2,3-bis(2,2-dimethylpropanoyloxy)-4-methoxy-4-oxobutanoic acid
CID 146161185
1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
CID 89402327
propan-2-amine;propan-2-yl 2,2-dimethylpropanoate;3-propan-2-yloxypropane-1-sulfonic acid
CID 158271977
pent-3-en-2-yl 2,2-dimethylpropanoate
CID 71349437
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
CID 158576596

Frequently Asked Questions

What is the IUPAC name of diaminomethyl 2,2-dimethylpropanoate?
The IUPAC name of diaminomethyl 2,2-dimethylpropanoate (CID 163435332) is diaminomethyl 2,2-dimethylpropanoate.
What is the SMILES notation for diaminomethyl 2,2-dimethylpropanoate?
The canonical SMILES for diaminomethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(N)N.
What is the InChIKey of diaminomethyl 2,2-dimethylpropanoate?
The InChIKey is ATZYFVJECUEZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(2,3)4(9)10-5(7)8/h5H,7-8H2,1-3H3.
What are the key properties of diaminomethyl 2,2-dimethylpropanoate?
diaminomethyl 2,2-dimethylpropanoate has a molecular weight of 146.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 163435332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).