N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

C12H23NO3 — CID 62065784

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO3/c1-14-9-10-15-7-4-6-13-11-12-5-2-3-8-16-12/h3,8,12-13H,2,4-7,9-11H2,1H3
InChIKeyDKWIXQUJLSHUAK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.32
Rot. Bonds9

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 62065784) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID62065784
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO3/c1-14-9-10-15-7-4-6-13-11-12-5-2-3-8-16-12/h3,8,12-13H,2,4-7,9-11H2,1H3
InChIKeyDKWIXQUJLSHUAK-UHFFFAOYSA-N
XLogP1.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.32
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-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (CID 62065784) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is DKWIXQUJLSHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-9-10-15-7-4-6-13-11-12-5-2-3-8-16-12/h3,8,12-13H,2,4-7,9-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 62065784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).