N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

C15H29NO4 — CID 166461695

IUPACN-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CC(=C)CCOCCOCCOCCOCCNC
InChIInChI=1S/C15H29NO4/c1-4-15(2)5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3/h4,16H,1-2,5-14H2,3H3
InChIKeyUNCVDQKWLOUVQS-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.40
Rot. Bonds16

About N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 166461695) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID166461695
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC NameN-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CC(=C)CCOCCOCCOCCOCCNC
InChIInChI=1S/C15H29NO4/c1-4-15(2)5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3/h4,16H,1-2,5-14H2,3H3
InChIKeyUNCVDQKWLOUVQS-UHFFFAOYSA-N
XLogP1.40
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 166461695) is N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is C=CC(=C)CCOCCOCCOCCOCCNC.
What is the InChIKey of N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is UNCVDQKWLOUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-15(2)5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-3/h4,16H,1-2,5-14H2,3H3.
What are the key properties of N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 1.40, 16 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-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 166461695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).