4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

C13H21NO3 — CID 106126527

IUPAC4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOCc1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C13H21NO3/c15-9-13-6-5-12(17-13)8-14-7-10-1-3-11(16)4-2-10/h5-6,10-11,14-16H,1-4,7-9H2
InChIKeyTWZZTBZFVHNCNZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.41
Rot. Bonds5

About 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126527) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID106126527
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOCc1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C13H21NO3/c15-9-13-6-5-12(17-13)8-14-7-10-1-3-11(16)4-2-10/h5-6,10-11,14-16H,1-4,7-9H2
InChIKeyTWZZTBZFVHNCNZ-UHFFFAOYSA-N
XLogP1.41
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

5-(1-Pyrrolidinylmethyl)-2-furanmethanol
CID 16494992
N-(cyclohexylmethyl)furan-2-carboxamide
CID 1245006
4-({[(Furan-2-yl)methyl]amino}methyl)phenol
CID 4279464
5-[(Methylamino)methyl]-2-furanmethanol
CID 14671747
1-(Furan-2-ylmethylamino)-3-phenoxypropan-2-ol
CID 3148954
Ammonium, (5-hydroxymethylfurfuryl)trimethyl-, iodide
CID 47947
1-[1-[(5-methylol-2-furyl)methyl]-4-piperidyl]-N-phenethyl-isonipecotamide
CID 16187723
1-(Furan-2-ylmethylamino)-3-phenylmethoxypropan-2-ol
CID 44427653
[5-({3-[2-(2,6-Difluorophenyl)ethyl]-1-piperidinyl}methyl)-2-furyl]methanol
CID 45200948
5-((Dimethylamino)methyl)-2-furanmethanol
CID 84906
((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride
CID 3086123
[(2S,4R,5R)-5-(2-fluorophenyl)-4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-1-methylpyrrolidin-2-yl]methanol
CID 45186735

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 106126527) is 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is OCc1ccc(CNCC2CCC(O)CC2)o1.
What is the InChIKey of 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is TWZZTBZFVHNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-9-13-6-5-12(17-13)8-14-7-10-1-3-11(16)4-2-10/h5-6,10-11,14-16H,1-4,7-9H2.
What are the key properties of 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).