N-(pent-2-enoxymethyl)ethanamine

C8H17NO — CID 122608179

IUPACN-(pent-2-enoxymethyl)ethanamine
SMILESCCC=CCOCNCC
InChIInChI=1S/C8H17NO/c1-3-5-6-7-10-8-9-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGVWLJRZQIISAFA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds6

About N-(pent-2-enoxymethyl)ethanamine

N-(pent-2-enoxymethyl)ethanamine (PubChem CID 122608179) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(pent-2-enoxymethyl)ethanamine.

Molecular Properties

Compound NameN-(pent-2-enoxymethyl)ethanamine
PubChem CID122608179
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(pent-2-enoxymethyl)ethanamine
SMILESCCC=CCOCNCC
InChIInChI=1S/C8H17NO/c1-3-5-6-7-10-8-9-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGVWLJRZQIISAFA-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pent-2-enoxymethyl)ethanamine?
The IUPAC name of N-(pent-2-enoxymethyl)ethanamine (CID 122608179) is N-(pent-2-enoxymethyl)ethanamine.
What is the SMILES notation for N-(pent-2-enoxymethyl)ethanamine?
The canonical SMILES for N-(pent-2-enoxymethyl)ethanamine is CCC=CCOCNCC.
What is the InChIKey of N-(pent-2-enoxymethyl)ethanamine?
The InChIKey is GVWLJRZQIISAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-7-10-8-9-4-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N-(pent-2-enoxymethyl)ethanamine?
N-(pent-2-enoxymethyl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pent-2-enoxymethyl)ethanamine is sourced from PubChem (CID 122608179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).