2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol

C9H16N2O2 — CID 82344574

IUPAC2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ccc(N)o1
InChIInChI=1S/C9H16N2O2/c1-9(2,6-12)11-5-7-3-4-8(10)13-7/h3-4,11-12H,5-6,10H2,1-2H3
InChIKeyXKZYBKUSOGHTIH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.72
Rot. Bonds4

About 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol

2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 82344574) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol
PubChem CID82344574
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ccc(N)o1
InChIInChI=1S/C9H16N2O2/c1-9(2,6-12)11-5-7-3-4-8(10)13-7/h3-4,11-12H,5-6,10H2,1-2H3
InChIKeyXKZYBKUSOGHTIH-UHFFFAOYSA-N
XLogP0.72
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol (CID 82344574) is 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1ccc(N)o1.
What is the InChIKey of 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is XKZYBKUSOGHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,6-12)11-5-7-3-4-8(10)13-7/h3-4,11-12H,5-6,10H2,1-2H3.
What are the key properties of 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol?
2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 82344574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).