3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol

C9H15NO2 — CID 79138827

IUPAC3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1ccoc1
InChIInChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-3-4-12-5-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyYEXOMAKYTYEKLJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol

3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol (PubChem CID 79138827) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol
PubChem CID79138827
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1ccoc1
InChIInChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-3-4-12-5-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyYEXOMAKYTYEKLJ-UHFFFAOYSA-N
XLogP1.30
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol (CID 79138827) is 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol is CC(C)(CN)C(O)c1ccoc1.
What is the InChIKey of 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is YEXOMAKYTYEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-3-4-12-5-7/h3-5,8,11H,6,10H2,1-2H3.
What are the key properties of 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol?
3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79138827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).