[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol

C10H17NO3 — CID 82709928

IUPAC[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
SMILESCC(C)CONCc1ccc(CO)o1
InChIInChI=1S/C10H17NO3/c1-8(2)7-13-11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyYCESHNYGGLZATN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.45
Rot. Bonds6

About [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol

[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol (PubChem CID 82709928) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
PubChem CID82709928
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol
SMILESCC(C)CONCc1ccc(CO)o1
InChIInChI=1S/C10H17NO3/c1-8(2)7-13-11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyYCESHNYGGLZATN-UHFFFAOYSA-N
XLogP1.45
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
CID 115758150
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
[5-[(cyclopentyloxyamino)methyl]furan-2-yl]methanol
CID 83229626
[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
CID 115762994
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
CID 103699286

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol (CID 82709928) is [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol is CC(C)CONCc1ccc(CO)o1.
What is the InChIKey of [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol?
The InChIKey is YCESHNYGGLZATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)7-13-11-5-9-3-4-10(6-12)14-9/h3-4,8,11-12H,5-7H2,1-2H3.
What are the key properties of [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol?
[5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpropoxyamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 82709928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).