[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol

C13H23NO2 — CID 103816353

IUPAC[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO2/c15-9-11-3-5-13(6-4-11)14-8-12-2-1-7-16-10-12/h2,11,13-15H,1,3-10H2
InChIKeyJGDNRSPNYQHQCK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds4

About [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol

[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol (PubChem CID 103816353) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
PubChem CID103816353
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCC2=CCCOC2)CC1
InChIInChI=1S/C13H23NO2/c15-9-11-3-5-13(6-4-11)14-8-12-2-1-7-16-10-12/h2,11,13-15H,1,3-10H2
InChIKeyJGDNRSPNYQHQCK-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propan-1-ol
CID 109897134
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol
CID 112353664
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cycloheptyl]methanol
CID 112353759
2-[3-(3,6-dihydro-2H-pyran-5-ylmethylamino)propyl]cyclohexan-1-ol
CID 112353858
2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 115742168
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 115742171
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol
CID 115742181
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methylcyclohexan-1-amine
CID 115763771

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol (CID 103816353) is [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol is OCC1CCC(NCC2=CCCOC2)CC1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol?
The InChIKey is JGDNRSPNYQHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-9-11-3-5-13(6-4-11)14-8-12-2-1-7-16-10-12/h2,11,13-15H,1,3-10H2.
What are the key properties of [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol?
[4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 103816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).