N-(prop-2-enoxymethyl)ethanamine

C6H13NO — CID 123335905

IUPACN-(prop-2-enoxymethyl)ethanamine
SMILESC=CCOCNCC
InChIInChI=1S/C6H13NO/c1-3-5-8-6-7-4-2/h3,7H,1,4-6H2,2H3
InChIKeyDPKTYEQMGVSEHB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds5

About N-(prop-2-enoxymethyl)ethanamine

N-(prop-2-enoxymethyl)ethanamine (PubChem CID 123335905) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(prop-2-enoxymethyl)ethanamine.

Molecular Properties

Compound NameN-(prop-2-enoxymethyl)ethanamine
PubChem CID123335905
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-(prop-2-enoxymethyl)ethanamine
SMILESC=CCOCNCC
InChIInChI=1S/C6H13NO/c1-3-5-8-6-7-4-2/h3,7H,1,4-6H2,2H3
InChIKeyDPKTYEQMGVSEHB-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.76
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-(prop-2-enoxymethyl)ethanamine?
The IUPAC name of N-(prop-2-enoxymethyl)ethanamine (CID 123335905) is N-(prop-2-enoxymethyl)ethanamine.
What is the SMILES notation for N-(prop-2-enoxymethyl)ethanamine?
The canonical SMILES for N-(prop-2-enoxymethyl)ethanamine is C=CCOCNCC.
What is the InChIKey of N-(prop-2-enoxymethyl)ethanamine?
The InChIKey is DPKTYEQMGVSEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5-8-6-7-4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-(prop-2-enoxymethyl)ethanamine?
N-(prop-2-enoxymethyl)ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enoxymethyl)ethanamine is sourced from PubChem (CID 123335905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).