1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol

C18H28N2O2 — CID 110905251

IUPAC1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CN(Cc2cccnc2)CC2CCCO2)CCCCC1
InChIInChI=1S/C18H28N2O2/c21-18(8-2-1-3-9-18)15-20(14-17-7-5-11-22-17)13-16-6-4-10-19-12-16/h4,6,10,12,17,21H,1-3,5,7-9,11,13-15H2
InChIKeyZPUSXDJRQGVJEB-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.76
Rot. Bonds6

About 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol

1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 110905251) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
PubChem CID110905251
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CN(Cc2cccnc2)CC2CCCO2)CCCCC1
InChIInChI=1S/C18H28N2O2/c21-18(8-2-1-3-9-18)15-20(14-17-7-5-11-22-17)13-16-6-4-10-19-12-16/h4,6,10,12,17,21H,1-3,5,7-9,11,13-15H2
InChIKeyZPUSXDJRQGVJEB-UHFFFAOYSA-N
XLogP2.76
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 94799650
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 51086858
N-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ylmethyl)-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75513847
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97237374
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one
CID 97078452
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273

Frequently Asked Questions

What is the IUPAC name of 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol (CID 110905251) is 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol is OC1(CN(Cc2cccnc2)CC2CCCO2)CCCCC1.
What is the InChIKey of 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZPUSXDJRQGVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-18(8-2-1-3-9-18)15-20(14-17-7-5-11-22-17)13-16-6-4-10-19-12-16/h4,6,10,12,17,21H,1-3,5,7-9,11,13-15H2.
What are the key properties of 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol?
1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 304.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110905251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).