2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol

C13H23NO2 — CID 62346723

IUPAC2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1ccc(CNC(CO)CC(C)C)o1
InChIInChI=1S/C13H23NO2/c1-4-12-5-6-13(16-12)8-14-11(9-15)7-10(2)3/h5-6,10-11,14-15H,4,7-9H2,1-3H3
InChIKeyJKPFTPLRPISZEN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.34
Rot. Bonds7

About 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol

2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 62346723) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
PubChem CID62346723
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1ccc(CNC(CO)CC(C)C)o1
InChIInChI=1S/C13H23NO2/c1-4-12-5-6-13(16-12)8-14-11(9-15)7-10(2)3/h5-6,10-11,14-15H,4,7-9H2,1-3H3
InChIKeyJKPFTPLRPISZEN-UHFFFAOYSA-N
XLogP2.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
2-[(5-ethylfuran-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711521
4-methyl-2-[(5-nitrofuran-2-yl)methylamino]pentan-1-ol
CID 61245533
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol (CID 62346723) is 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol is CCc1ccc(CNC(CO)CC(C)C)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is JKPFTPLRPISZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-12-5-6-13(16-12)8-14-11(9-15)7-10(2)3/h5-6,10-11,14-15H,4,7-9H2,1-3H3.
What are the key properties of 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol?
2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 62346723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).