[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate

C11H24N2O4 — CID 175096885

IUPAC[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(COCCOCCN)OC(N)=O
InChIInChI=1S/C11H24N2O4/c1-11(2,3)9(17-10(13)14)8-16-7-6-15-5-4-12/h9H,4-8,12H2,1-3H3,(H2,13,14)
InChIKeyCOKJMRBCZOISFQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.49
Rot. Bonds8

About [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate

[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate (PubChem CID 175096885) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
PubChem CID175096885
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(COCCOCCN)OC(N)=O
InChIInChI=1S/C11H24N2O4/c1-11(2,3)9(17-10(13)14)8-16-7-6-15-5-4-12/h9H,4-8,12H2,1-3H3,(H2,13,14)
InChIKeyCOKJMRBCZOISFQ-UHFFFAOYSA-N
XLogP0.49
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
CID 140664667
[3,3-dimethyl-1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]butan-2-yl] carbamate
CID 175221498
(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174
(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
2,2-dimethylheptan-3-yl carbamate
CID 175434709
2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 173024422
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
2-[2-(2-aminoethoxy)ethoxy]ethanamine;butanediamide
CID 87072841
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate?
The IUPAC name of [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate (CID 175096885) is [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate.
What is the SMILES notation for [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate?
The canonical SMILES for [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate is CC(C)(C)C(COCCOCCN)OC(N)=O.
What is the InChIKey of [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate?
The InChIKey is COKJMRBCZOISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-11(2,3)9(17-10(13)14)8-16-7-6-15-5-4-12/h9H,4-8,12H2,1-3H3,(H2,13,14).
What are the key properties of [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate?
[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate has a molecular weight of 248.32 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate is sourced from PubChem (CID 175096885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).