1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol

C10H23NO2 — CID 167261878

IUPAC1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol
SMILESCC(C)(C)COC(C)(C)C(O)CN
InChIInChI=1S/C10H23NO2/c1-9(2,3)7-13-10(4,5)8(12)6-11/h8,12H,6-7,11H2,1-5H3
InChIKeyHDZZWXSVFQIWPE-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds4

About 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol

1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol (PubChem CID 167261878) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol
PubChem CID167261878
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol
SMILESCC(C)(C)COC(C)(C)C(O)CN
InChIInChI=1S/C10H23NO2/c1-9(2,3)7-13-10(4,5)8(12)6-11/h8,12H,6-7,11H2,1-5H3
InChIKeyHDZZWXSVFQIWPE-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol?
The IUPAC name of 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol (CID 167261878) is 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol is CC(C)(C)COC(C)(C)C(O)CN.
What is the InChIKey of 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol?
The InChIKey is HDZZWXSVFQIWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2,3)7-13-10(4,5)8(12)6-11/h8,12H,6-7,11H2,1-5H3.
What are the key properties of 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol?
1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-dimethylpropoxy)-3-methylbutan-2-ol is sourced from PubChem (CID 167261878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).