N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine

C8H17NO3 — CID 61023444

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1COCCO1
InChIInChI=1S/C8H17NO3/c1-10-3-2-9-6-8-7-11-4-5-12-8/h8-9H,2-7H2,1H3
InChIKeyLZNPLKNQBTXDLH-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.36
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine

N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine (PubChem CID 61023444) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine
PubChem CID61023444
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1COCCO1
InChIInChI=1S/C8H17NO3/c1-10-3-2-9-6-8-7-11-4-5-12-8/h8-9H,2-7H2,1H3
InChIKeyLZNPLKNQBTXDLH-UHFFFAOYSA-N
XLogP-0.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine (CID 61023444) is N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine is COCCNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is LZNPLKNQBTXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-10-3-2-9-6-8-7-11-4-5-12-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine?
N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 175.23 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 61023444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).