N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine

C11H23NO2 — CID 112590220

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-12-7-8-13-9-10-14-11(2,3)4/h5,12H,1,6-10H2,2-4H3
InChIKeyGBNXZFNSHDRYQD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds8

About N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine

N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine (PubChem CID 112590220) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine
PubChem CID112590220
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-12-7-8-13-9-10-14-11(2,3)4/h5,12H,1,6-10H2,2-4H3
InChIKeyGBNXZFNSHDRYQD-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine 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

(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
CID 59520542
N-[2-(2-Ethoxyethoxy)ethyl]-2-propen-1-amine
CID 62565966
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylprop-2-en-1-amine
CID 89159558
N-ethyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethanamine
CID 135278983
N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine
CID 141058697
Bis(2-ethoxyethyl)-prop-2-enylazanium chloride
CID 141168351
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
Ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol
CID 177239930
N-(2-butoxyethyl)prop-2-en-1-amine
CID 12238058
N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine
CID 14438303
1-[(2-Methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol
CID 60635132
N-(2-propan-2-yloxyethyl)prop-2-en-1-amine
CID 60685766

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine (CID 112590220) is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine is C=CCNCCOCCOC(C)(C)C.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine?
The InChIKey is GBNXZFNSHDRYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-12-7-8-13-9-10-14-11(2,3)4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine?
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 112590220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).