[methyl(propan-2-yl)amino] formate

C5H11NO2 — CID 174589293

IUPAC[methyl(propan-2-yl)amino] formate
SMILESCC(C)N(C)OC=O
InChIInChI=1S/C5H11NO2/c1-5(2)6(3)8-4-7/h4-5H,1-3H3
InChIKeyHIFRQAXNGIDZKM-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.41
Rot. Bonds3

About [methyl(propan-2-yl)amino] formate

[methyl(propan-2-yl)amino] formate (PubChem CID 174589293) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [methyl(propan-2-yl)amino] formate.

Molecular Properties

Compound Name[methyl(propan-2-yl)amino] formate
PubChem CID174589293
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[methyl(propan-2-yl)amino] formate
SMILESCC(C)N(C)OC=O
InChIInChI=1S/C5H11NO2/c1-5(2)6(3)8-4-7/h4-5H,1-3H3
InChIKeyHIFRQAXNGIDZKM-UHFFFAOYSA-N
XLogP0.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino formate;zinc
CID 174400064
N-methyl-N-propan-2-yloxypropan-2-amine
CID 59658317
1-[dimethylamino(methyl)amino]ethyl formate
CID 54171702
N-(1-hydroxyethyl)-N-propan-2-ylformamide
CID 173056089
1-[1-(dimethylamino)ethoxy]ethyl formate
CID 173099099
[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate
CID 123795513
lithium;ethyl formate;hydroxide
CID 174914217
propan-2-yl formate;dihydrochloride
CID 141306590
3,4,5-trimethylhexyl formate
CID 87470323
2-iodopropyl formate
CID 87289117
(5-formyloxy-3-methylpentyl) formate
CID 91318391
(6-formyloxy-2,7-dimethyloct-4-yn-3-yl) formate
CID 154311623

Frequently Asked Questions

What is the IUPAC name of [methyl(propan-2-yl)amino] formate?
The IUPAC name of [methyl(propan-2-yl)amino] formate (CID 174589293) is [methyl(propan-2-yl)amino] formate.
What is the SMILES notation for [methyl(propan-2-yl)amino] formate?
The canonical SMILES for [methyl(propan-2-yl)amino] formate is CC(C)N(C)OC=O.
What is the InChIKey of [methyl(propan-2-yl)amino] formate?
The InChIKey is HIFRQAXNGIDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(2)6(3)8-4-7/h4-5H,1-3H3.
What are the key properties of [methyl(propan-2-yl)amino] formate?
[methyl(propan-2-yl)amino] formate has a molecular weight of 117.15 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yl)amino] formate is sourced from PubChem (CID 174589293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).