N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine

C8H17NO2 — CID 141058697

IUPACN-methyl-2-(2-prop-1-enoxyethoxy)ethanamine
SMILESCC=COCCOCCNC
InChIInChI=1S/C8H17NO2/c1-3-5-10-7-8-11-6-4-9-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyWPQOCYPWAIDCPF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.77
Rot. Bonds7

About N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine

N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine (PubChem CID 141058697) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-prop-1-enoxyethoxy)ethanamine
PubChem CID141058697
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-methyl-2-(2-prop-1-enoxyethoxy)ethanamine
SMILESCC=COCCOCCNC
InChIInChI=1S/C8H17NO2/c1-3-5-10-7-8-11-6-4-9-2/h3,5,9H,4,6-8H2,1-2H3
InChIKeyWPQOCYPWAIDCPF-UHFFFAOYSA-N
XLogP0.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine?
The IUPAC name of N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine (CID 141058697) is N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine is CC=COCCOCCNC.
What is the InChIKey of N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine?
The InChIKey is WPQOCYPWAIDCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-10-7-8-11-6-4-9-2/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine?
N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine is sourced from PubChem (CID 141058697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).