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

C14H25NO2 — CID 102648114

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-17-14(9-5-3-6-10-14)13(15)12-8-4-7-11-16-12/h8,13H,2-7,9-11,15H2,1H3
InChIKeyGDQIFOBOKBYFIZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds4

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

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine (PubChem CID 102648114) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine
PubChem CID102648114
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-17-14(9-5-3-6-10-14)13(15)12-8-4-7-11-16-12/h8,13H,2-7,9-11,15H2,1H3
InChIKeyGDQIFOBOKBYFIZ-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
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-ethoxycyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine (CID 102648114) is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine is CCOC1(C(N)C2=CCCCO2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine?
The InChIKey is GDQIFOBOKBYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-17-14(9-5-3-6-10-14)13(15)12-8-4-7-11-16-12/h8,13H,2-7,9-11,15H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 2.75, 4 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-ethoxycyclohexyl)methanamine is sourced from PubChem (CID 102648114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).