N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine

C14H29NO2 — CID 102641744

IUPACN-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)(C)C)CNCCOC
InChIInChI=1S/C14H29NO2/c1-7-14(5,12-15-9-11-16-6)8-10-17-13(2,3)4/h7,15H,1,8-12H2,2-6H3
InChIKeyXDYILJJYCLCNDL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.62
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine

N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine (PubChem CID 102641744) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
PubChem CID102641744
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)(C)C)CNCCOC
InChIInChI=1S/C14H29NO2/c1-7-14(5,12-15-9-11-16-6)8-10-17-13(2,3)4/h7,15H,1,8-12H2,2-6H3
InChIKeyXDYILJJYCLCNDL-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.62
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine (CID 102641744) is N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine is C=CC(C)(CCOC(C)(C)C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The InChIKey is XDYILJJYCLCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-14(5,12-15-9-11-16-6)8-10-17-13(2,3)4/h7,15H,1,8-12H2,2-6H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine is sourced from PubChem (CID 102641744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).