1-(2-amino-2-methylpropoxy)butan-2-ol

C8H19NO2 — CID 106939915

IUPAC1-(2-amino-2-methylpropoxy)butan-2-ol
SMILESCCC(O)COCC(C)(C)N
InChIInChI=1S/C8H19NO2/c1-4-7(10)5-11-6-8(2,3)9/h7,10H,4-6,9H2,1-3H3
InChIKeyJOKVQWUBKQLCJB-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds5

About 1-(2-amino-2-methylpropoxy)butan-2-ol

1-(2-amino-2-methylpropoxy)butan-2-ol (PubChem CID 106939915) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropoxy)butan-2-ol
PubChem CID106939915
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(2-amino-2-methylpropoxy)butan-2-ol
SMILESCCC(O)COCC(C)(C)N
InChIInChI=1S/C8H19NO2/c1-4-7(10)5-11-6-8(2,3)9/h7,10H,4-6,9H2,1-3H3
InChIKeyJOKVQWUBKQLCJB-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropoxy)butan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropoxy)butan-2-ol (CID 106939915) is 1-(2-amino-2-methylpropoxy)butan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropoxy)butan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropoxy)butan-2-ol is CCC(O)COCC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropoxy)butan-2-ol?
The InChIKey is JOKVQWUBKQLCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-7(10)5-11-6-8(2,3)9/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropoxy)butan-2-ol?
1-(2-amino-2-methylpropoxy)butan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropoxy)butan-2-ol is sourced from PubChem (CID 106939915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).