N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine

C9H17NO2 — CID 62065419

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c1-11-7-5-10-8-9-4-2-3-6-12-9/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeyCUBWAJZMPVBFJB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine (PubChem CID 62065419) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine
PubChem CID62065419
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c1-11-7-5-10-8-9-4-2-3-6-12-9/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeyCUBWAJZMPVBFJB-UHFFFAOYSA-N
XLogP0.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine (CID 62065419) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine is COCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is CUBWAJZMPVBFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-7-5-10-8-9-4-2-3-6-12-9/h3,6,9-10H,2,4-5,7-8H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 171.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 62065419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).