3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine

C11H19NO2 — CID 102647565

IUPAC3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C11H19NO2/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h5,9,11H,1-4,6-8,12H2
InChIKeyPYSBONMEUDQMRJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.43
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine

3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine (PubChem CID 102647565) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
PubChem CID102647565
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C11H19NO2/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h5,9,11H,1-4,6-8,12H2
InChIKeyPYSBONMEUDQMRJ-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2,5-bis(2-ethylhexoxy)cyclohex-2-ene-1,4-diamine
CID 89794030
3-Methyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179053
2-Oxabicyclo[2.2.2]oct-1(6)-ene-5,8-diamine
CID 87967010
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
CID 102647276
cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647501
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102647566
N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine
CID 102647567
N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]propan-1-amine
CID 102647568
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanamine
CID 102647623
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647881
1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine
CID 102648006

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine (CID 102647565) is 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine is NC(C1=CCCCO1)C1CCCOC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine?
The InChIKey is PYSBONMEUDQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h5,9,11H,1-4,6-8,12H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine is sourced from PubChem (CID 102647565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).