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

C13H23NO3 — CID 103699609

IUPAC1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-13(2,3)6-10(16)7-14-8-11-4-5-12(9-15)17-11/h4-5,10,14-16H,6-9H2,1-3H3
InChIKeyDTRHBYLIDGYZAT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.66
Rot. Bonds6

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

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103699609) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
PubChem CID103699609
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-13(2,3)6-10(16)7-14-8-11-4-5-12(9-15)17-11/h4-5,10,14-16H,6-9H2,1-3H3
InChIKeyDTRHBYLIDGYZAT-UHFFFAOYSA-N
XLogP1.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 103699386
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466680
methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
CID 104586323
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
CID 103897600
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol (CID 103699609) is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCc1ccc(CO)o1.
What is the InChIKey of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is DTRHBYLIDGYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)6-10(16)7-14-8-11-4-5-12(9-15)17-11/h4-5,10,14-16H,6-9H2,1-3H3.
What are the key properties of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol?
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103699609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).