[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate

C9H20N2O2 — CID 149093757

IUPAC[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate
SMILESCNCCN(C)OC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)8(12)13-11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChIKeyQSZVNGUCVMXIBG-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.64
Rot. Bonds4

About [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate

[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate (PubChem CID 149093757) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate
PubChem CID149093757
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate
SMILESCNCCN(C)OC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)8(12)13-11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChIKeyQSZVNGUCVMXIBG-UHFFFAOYSA-N
XLogP0.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
CID 71651161
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
CID 123348622
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine
CID 21308808
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453

Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate?
The IUPAC name of [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate (CID 149093757) is [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate?
The canonical SMILES for [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate is CNCCN(C)OC(=O)C(C)(C)C.
What is the InChIKey of [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate?
The InChIKey is QSZVNGUCVMXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)8(12)13-11(5)7-6-10-4/h10H,6-7H2,1-5H3.
What are the key properties of [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate?
[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 149093757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).