1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol

C11H25NO2 — CID 12606684

IUPAC1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-14-8-10(13)6-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyQDMJNXPXAQJCHK-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds6

About 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol

1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 12606684) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID12606684
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-14-8-10(13)6-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyQDMJNXPXAQJCHK-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol (CID 12606684) is 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is QDMJNXPXAQJCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)7-14-8-10(13)6-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol?
1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 12606684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).