3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine

C13H23NO2 — CID 102648110

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H23NO2/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyNXGFPGHVYVPROJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine (PubChem CID 102648110) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine
PubChem CID102648110
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H23NO2/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyNXGFPGHVYVPROJ-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine (CID 102648110) is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine is COC1(C(N)C2=CCCCO2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine?
The InChIKey is NXGFPGHVYVPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-15-13(8-4-2-5-9-13)12(14)11-7-3-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 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-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 102648110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).