1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

C14H25NO — CID 115742173

IUPAC1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyGRDUDWYCLFYWKI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

About 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine

1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (PubChem CID 115742173) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
PubChem CID115742173
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyGRDUDWYCLFYWKI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624872
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 115741814
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 81384664
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine (CID 115742173) is 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is CC(NCC1=CCCOC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
The InChIKey is GRDUDWYCLFYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine?
1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine is sourced from PubChem (CID 115742173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).