tert-butyl formate;ethane;2-methoxy-N-methylethanamine

C11H27NO3 — CID 144580740

IUPACtert-butyl formate;ethane;2-methoxy-N-methylethanamine
SMILESCC.CC(C)(C)OC=O.CNCCOC
InChIInChI=1S/C5H10O2.C4H11NO.C2H6/c1-5(2,3)7-4-6;1-5-3-4-6-2;1-2/h4H,1-3H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyZDGDLUUNWIDTPK-UHFFFAOYSA-N
MW221.34 g/mol
LogP1.84
Rot. Bonds4

About tert-butyl formate;ethane;2-methoxy-N-methylethanamine

tert-butyl formate;ethane;2-methoxy-N-methylethanamine (PubChem CID 144580740) has the molecular formula C11H27NO3 and a molecular weight of 221.34 g/mol. Its IUPAC name is tert-butyl formate;ethane;2-methoxy-N-methylethanamine.

Molecular Properties

Compound Nametert-butyl formate;ethane;2-methoxy-N-methylethanamine
PubChem CID144580740
Molecular FormulaC11H27NO3
Molecular Weight221.34 g/mol
Exact Mass221.20
IUPAC Nametert-butyl formate;ethane;2-methoxy-N-methylethanamine
SMILESCC.CC(C)(C)OC=O.CNCCOC
InChIInChI=1S/C5H10O2.C4H11NO.C2H6/c1-5(2,3)7-4-6;1-5-3-4-6-2;1-2/h4H,1-3H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyZDGDLUUNWIDTPK-UHFFFAOYSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;ethane;2-methoxy-N-methylethanamine 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 formate;1,2-dimethoxyethane
CID 174865662
ethane;2-methoxy-N-methylethanamine
CID 91504059
tert-butyl formate;ethane;N-methylpentan-1-amine
CID 142042302
tert-butyl formate;methyl 3-(methylamino)propanoate
CID 178136368
methane;2-methoxy-N-methylethanamine
CID 159300149
2-tert-butyl-4,4-dimethylpentanal;2-methoxy-N-methylethanamine
CID 145419006
tert-butyl formate;methanamine;4-methoxybutan-2-one
CID 163253755
dichloromethane;2-methoxy-N-methylethanamine
CID 131725176
2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea
CID 144998233
tert-butyl formate;cyclononane
CID 174460222
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;ethane;2-methoxy-N-methylethanamine?
The IUPAC name of tert-butyl formate;ethane;2-methoxy-N-methylethanamine (CID 144580740) is tert-butyl formate;ethane;2-methoxy-N-methylethanamine.
What is the SMILES notation for tert-butyl formate;ethane;2-methoxy-N-methylethanamine?
The canonical SMILES for tert-butyl formate;ethane;2-methoxy-N-methylethanamine is CC.CC(C)(C)OC=O.CNCCOC.
What is the InChIKey of tert-butyl formate;ethane;2-methoxy-N-methylethanamine?
The InChIKey is ZDGDLUUNWIDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H11NO.C2H6/c1-5(2,3)7-4-6;1-5-3-4-6-2;1-2/h4H,1-3H3;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of tert-butyl formate;ethane;2-methoxy-N-methylethanamine?
tert-butyl formate;ethane;2-methoxy-N-methylethanamine has a molecular weight of 221.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;ethane;2-methoxy-N-methylethanamine is sourced from PubChem (CID 144580740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).