5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol

C12H21NO2 — CID 111467857

IUPAC5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1ccco1
InChIInChI=1S/C12H21NO2/c1-10(14)7-12(2,3)9-13-8-11-5-4-6-15-11/h4-6,10,13-14H,7-9H2,1-3H3
InChIKeyFGAZRJSPMXYBDI-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.17
Rot. Bonds6

About 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol

5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol (PubChem CID 111467857) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
PubChem CID111467857
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1ccco1
InChIInChI=1S/C12H21NO2/c1-10(14)7-12(2,3)9-13-8-11-5-4-6-15-11/h4-6,10,13-14H,7-9H2,1-3H3
InChIKeyFGAZRJSPMXYBDI-UHFFFAOYSA-N
XLogP2.17
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780
1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine
CID 111911342
2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 115656634
1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468223
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol (CID 111467857) is 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol is CC(O)CC(C)(C)CNCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is FGAZRJSPMXYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(14)7-12(2,3)9-13-8-11-5-4-6-15-11/h4-6,10,13-14H,7-9H2,1-3H3.
What are the key properties of 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol?
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 111467857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).