5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol

C11H18INO2 — CID 106157788

IUPAC5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1ccc(I)o1
InChIInChI=1S/C11H18INO2/c1-9(8-14)3-2-6-13-7-10-4-5-11(12)15-10/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyDFSQRGZADFZQCQ-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.38
Rot. Bonds7

About 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol

5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 106157788) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
PubChem CID106157788
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1ccc(I)o1
InChIInChI=1S/C11H18INO2/c1-9(8-14)3-2-6-13-7-10-4-5-11(12)15-10/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyDFSQRGZADFZQCQ-UHFFFAOYSA-N
XLogP2.38
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
CID 43763160
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
CID 103859612
2-methyl-5-[(4-nitrophenyl)methylamino]pentan-1-ol
CID 103859631
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol (CID 106157788) is 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol is CC(CO)CCCNCc1ccc(I)o1.
What is the InChIKey of 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is DFSQRGZADFZQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO2/c1-9(8-14)3-2-6-13-7-10-4-5-11(12)15-10/h4-5,9,13-14H,2-3,6-8H2,1H3.
What are the key properties of 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol?
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 323.17 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 106157788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).