5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol

C11H19NO3 — CID 107267638

IUPAC5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-9(14)3-2-6-12-7-10-4-5-11(8-13)15-10/h4-5,9,12-14H,2-3,6-8H2,1H3
InChIKeyDYDYVMGSSJZILB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.02
Rot. Bonds7

About 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol

5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol (PubChem CID 107267638) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
PubChem CID107267638
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-9(14)3-2-6-12-7-10-4-5-11(8-13)15-10/h4-5,9,12-14H,2-3,6-8H2,1H3
InChIKeyDYDYVMGSSJZILB-UHFFFAOYSA-N
XLogP1.02
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
CID 115654111
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The IUPAC name of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol (CID 107267638) is 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol.
What is the SMILES notation for 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The canonical SMILES for 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol is CC(O)CCCNCc1ccc(CO)o1.
What is the InChIKey of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The InChIKey is DYDYVMGSSJZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(14)3-2-6-12-7-10-4-5-11(8-13)15-10/h4-5,9,12-14H,2-3,6-8H2,1H3.
What are the key properties of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol is sourced from PubChem (CID 107267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).