N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

C14H29NO4 — CID 142382424

IUPACN-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCOCCNC
InChIInChI=1S/C14H29NO4/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3/h15H,1,4-13H2,2-3H3
InChIKeySIJIEGLIUXCGAN-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.24
Rot. Bonds15

About N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 142382424) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID142382424
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC NameN-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCOCCNC
InChIInChI=1S/C14H29NO4/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3/h15H,1,4-13H2,2-3H3
InChIKeySIJIEGLIUXCGAN-UHFFFAOYSA-N
XLogP1.24
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 142382424) is N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is C=C(C)CCOCCOCCOCCOCCNC.
What is the InChIKey of N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is SIJIEGLIUXCGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3/h15H,1,4-13H2,2-3H3.
What are the key properties of N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 1.24, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 142382424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).