N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine

C8H17NO3 — CID 58402336

IUPACN-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine
SMILESC=COCNCOCCOCC
InChIInChI=1S/C8H17NO3/c1-3-10-5-6-12-8-9-7-11-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyBCQHIIITWVFVBE-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.70
Rot. Bonds9

About N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine

N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine (PubChem CID 58402336) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine.

Molecular Properties

Compound NameN-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine
PubChem CID58402336
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine
SMILESC=COCNCOCCOCC
InChIInChI=1S/C8H17NO3/c1-3-10-5-6-12-8-9-7-11-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyBCQHIIITWVFVBE-UHFFFAOYSA-N
XLogP0.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethenoxy-2-ethoxyethane
CID 14510945
1,2-diethoxyethane;ethenamine
CID 160675526
1,2-diethoxyethane;ethene
CID 158825770
2-O,3-O,4-O,5-O,6-O-pentakis(2-ethenoxyethyl) 1-O-(2-ethoxyethyl) cyclohexane-1,2,3,4,5,6-hexacarboxylate
CID 149463478
1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
CID 87913986
2-ethoxyethoxymethyl formate
CID 122645208
CID 54538570
CID 54538570
1,2-diethoxyethane;hydrofluoride
CID 175535770
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
ethoxyethane;fluoroethene
CID 87329841
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate
CID 20751105

Frequently Asked Questions

What is the IUPAC name of N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine?
The IUPAC name of N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine (CID 58402336) is N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine.
What is the SMILES notation for N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine?
The canonical SMILES for N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine is C=COCNCOCCOCC.
What is the InChIKey of N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine?
The InChIKey is BCQHIIITWVFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-10-5-6-12-8-9-7-11-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine?
N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine has a molecular weight of 175.23 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine is sourced from PubChem (CID 58402336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).