N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine

C13H19NO2 — CID 115896021

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCC1=CCOCC1)c1ccco1
InChIInChI=1S/C13H19NO2/c1-11(13-3-2-8-16-13)14-7-4-12-5-9-15-10-6-12/h2-3,5,8,11,14H,4,6-7,9-10H2,1H3
InChIKeyHPQLGJYDKVTVLQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 115896021) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID115896021
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCC1=CCOCC1)c1ccco1
InChIInChI=1S/C13H19NO2/c1-11(13-3-2-8-16-13)14-7-4-12-5-9-15-10-6-12/h2-3,5,8,11,14H,4,6-7,9-10H2,1H3
InChIKeyHPQLGJYDKVTVLQ-UHFFFAOYSA-N
XLogP2.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548319
1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
CID 104628579
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62560272
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 115896021) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine is CC(NCCC1=CCOCC1)c1ccco1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is HPQLGJYDKVTVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(13-3-2-8-16-13)14-7-4-12-5-9-15-10-6-12/h2-3,5,8,11,14H,4,6-7,9-10H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 115896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).