2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C14H25NO2 — CID 55261647

IUPAC2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCOC2CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-6-13(7-3-1)17-11-9-15-12-14-8-4-5-10-16-14/h5,10,13-15H,1-4,6-9,11-12H2
InChIKeyVFHADTJFGAUSHJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds6

About 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 55261647) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID55261647
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC1=COC(CNCCOC2CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-6-13(7-3-1)17-11-9-15-12-14-8-4-5-10-16-14/h5,10,13-15H,1-4,6-9,11-12H2
InChIKeyVFHADTJFGAUSHJ-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 55261647) is 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is C1=COC(CNCCOC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is VFHADTJFGAUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-6-13(7-3-1)17-11-9-15-12-14-8-4-5-10-16-14/h5,10,13-15H,1-4,6-9,11-12H2.
What are the key properties of 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 55261647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).