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

C10H19NO2 — CID 62064379

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
SMILESCCOCCNCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-2-12-8-6-11-9-10-5-3-4-7-13-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyBKNFMZPNJAOTTD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds6

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine (PubChem CID 62064379) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
PubChem CID62064379
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine
SMILESCCOCCNCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-2-12-8-6-11-9-10-5-3-4-7-13-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyBKNFMZPNJAOTTD-UHFFFAOYSA-N
XLogP1.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
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-ethoxyethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine (CID 62064379) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine is CCOCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine?
The InChIKey is BKNFMZPNJAOTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-12-8-6-11-9-10-5-3-4-7-13-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethoxyethanamine has a molecular weight of 185.27 g/mol, XLogP of 1.31, 6 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-ethoxyethanamine is sourced from PubChem (CID 62064379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).