N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine

C13H19NO2 — CID 102647362

IUPACN-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccco1
InChIInChI=1S/C13H19NO2/c1-2-8-14-13(12-7-5-10-16-12)11-6-3-4-9-15-11/h5-7,10,13-14H,2-4,8-9H2,1H3
InChIKeyMNPUZHNKBQYNNE-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.01
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine (PubChem CID 102647362) 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(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
PubChem CID102647362
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccco1
InChIInChI=1S/C13H19NO2/c1-2-8-14-13(12-7-5-10-16-12)11-6-3-4-9-15-11/h5-7,10,13-14H,2-4,8-9H2,1H3
InChIKeyMNPUZHNKBQYNNE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
CID 102647869
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine (CID 102647362) is N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1ccco1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine?
The InChIKey is MNPUZHNKBQYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-8-14-13(12-7-5-10-16-12)11-6-3-4-9-15-11/h5-7,10,13-14H,2-4,8-9H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 3.01, 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-6-yl(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).