1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C7H17NO2 — CID 19012483

IUPAC1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN
InChIInChI=1S/C7H17NO2/c1-7(2,3)10-5-6(9)4-8/h6,9H,4-5,8H2,1-3H3
InChIKeyZKHHFKLWZNETDR-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.12
Rot. Bonds3

About 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 19012483) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID19012483
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN
InChIInChI=1S/C7H17NO2/c1-7(2,3)10-5-6(9)4-8/h6,9H,4-5,8H2,1-3H3
InChIKeyZKHHFKLWZNETDR-UHFFFAOYSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 19012483) is 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CN.
What is the InChIKey of 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is ZKHHFKLWZNETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,3)10-5-6(9)4-8/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 19012483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).