2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol

C13H23NO2 — CID 111118884

IUPAC2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-8-12-7-6-11(3)16-12/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyAUJVALBDSJPTOC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.47
Rot. Bonds6

About 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol

2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol (PubChem CID 111118884) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
PubChem CID111118884
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-8-12-7-6-11(3)16-12/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyAUJVALBDSJPTOC-UHFFFAOYSA-N
XLogP2.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 62524546
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol (CID 111118884) is 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol is CCC(C)C(C)(O)CNCc1ccc(C)o1.
What is the InChIKey of 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol?
The InChIKey is AUJVALBDSJPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-8-12-7-6-11(3)16-12/h6-7,10,14-15H,5,8-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol?
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).