5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol

C13H23NO3 — CID 103897600

IUPAC5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-13(2,6-3-7-15)10-14-8-11-4-5-12(9-16)17-11/h4-5,14-16H,3,6-10H2,1-2H3
InChIKeyZBBBLVMFEBARIN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.66
Rot. Bonds8

About 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol

5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897600) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897600
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-13(2,6-3-7-15)10-14-8-11-4-5-12(9-16)17-11/h4-5,14-16H,3,6-10H2,1-2H3
InChIKeyZBBBLVMFEBARIN-UHFFFAOYSA-N
XLogP1.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-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

5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]furan-2-carboxylic acid
CID 106143516
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]furan-3-carboxylic acid
CID 114150251
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol (CID 103897600) is 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1ccc(CO)o1.
What is the InChIKey of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is ZBBBLVMFEBARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,6-3-7-15)10-14-8-11-4-5-12(9-16)17-11/h4-5,14-16H,3,6-10H2,1-2H3.
What are the key properties of 5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol?
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.66, 8 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).