N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine

C13H19NO2 — CID 102648838

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1ccc(C)o1
InChIInChI=1S/C13H19NO2/c1-3-14-13(11-6-4-5-9-15-11)12-8-7-10(2)16-12/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyUITNYJJBGSJQQT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.93
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 102648838) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID102648838
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1ccc(C)o1
InChIInChI=1S/C13H19NO2/c1-3-14-13(11-6-4-5-9-15-11)12-8-7-10(2)16-12/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyUITNYJJBGSJQQT-UHFFFAOYSA-N
XLogP2.93
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
CID 102649394
N-[3,4-dihydro-2H-pyran-6-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804682
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
N-[[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106656418
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
CID 103128405
N-[(3-chloro-4,5-dimethoxyphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647242
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine (CID 102648838) is N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(C1=CCCCO1)c1ccc(C)o1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is UITNYJJBGSJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-13(11-6-4-5-9-15-11)12-8-7-10(2)16-12/h6-8,13-14H,3-5,9H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.93, 4 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-6-yl-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 102648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).