N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine

C12H21NO2 — CID 62064424

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESC1=COC(CNCCC2CCCO2)CC1
InChIInChI=1S/C12H21NO2/c1-2-8-15-12(4-1)10-13-7-6-11-5-3-9-14-11/h2,8,11-13H,1,3-7,9-10H2
InChIKeyVNEPHLBMDRCLLU-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 62064424) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
PubChem CID62064424
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESC1=COC(CNCCC2CCCO2)CC1
InChIInChI=1S/C12H21NO2/c1-2-8-15-12(4-1)10-13-7-6-11-5-3-9-14-11/h2,8,11-13H,1,3-7,9-10H2
InChIKeyVNEPHLBMDRCLLU-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
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-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine (CID 62064424) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine is C1=COC(CNCCC2CCCO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is VNEPHLBMDRCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-8-15-12(4-1)10-13-7-6-11-5-3-9-14-11/h2,8,11-13H,1,3-7,9-10H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.84, 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-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62064424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).