N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine

C14H30N2O3 — CID 146535773

IUPACN-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine
SMILESC=CCCCOCCOCCNCCOCCNC
InChIInChI=1S/C14H30N2O3/c1-3-4-5-9-17-13-14-19-12-8-16-7-11-18-10-6-15-2/h3,15-16H,1,4-14H2,2H3
InChIKeyZEVLXPZCXIJJRS-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.81
Rot. Bonds16

About N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine

N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine (PubChem CID 146535773) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine
PubChem CID146535773
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine
SMILESC=CCCCOCCOCCNCCOCCNC
InChIInChI=1S/C14H30N2O3/c1-3-4-5-9-17-13-14-19-12-8-16-7-11-18-10-6-15-2/h3,15-16H,1,4-14H2,2H3
InChIKeyZEVLXPZCXIJJRS-UHFFFAOYSA-N
XLogP0.81
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
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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Related Compounds

(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
N-methyl-2-pent-4-enoxyethanamine
CID 55299295
(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
1-ethoxy-N-ethylpent-4-en-2-amine
CID 65670324
N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 73864940
2-[2-(2-Pent-4-enoxyethoxy)ethoxy]ethanamine
CID 91463508
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine
CID 121299855
2-(2-Pent-4-enoxyethoxy)ethanamine
CID 132147373
2-Prop-2-enyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 145850424
2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 153377293

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine (CID 146535773) is N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine is C=CCCCOCCOCCNCCOCCNC.
What is the InChIKey of N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine?
The InChIKey is ZEVLXPZCXIJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-4-5-9-17-13-14-19-12-8-16-7-11-18-10-6-15-2/h3,15-16H,1,4-14H2,2H3.
What are the key properties of N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine?
N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine has a molecular weight of 274.40 g/mol, XLogP of 0.81, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine is sourced from PubChem (CID 146535773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).