1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol

C11H25NO2 — CID 3067041

IUPAC1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCC(C)COCC(O)CNC(C)C
InChIInChI=1S/C11H25NO2/c1-5-10(4)7-14-8-11(13)6-12-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyUHNFCMGNHLSROG-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds8

About 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol

1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3067041) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID3067041
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCC(C)COCC(O)CNC(C)C
InChIInChI=1S/C11H25NO2/c1-5-10(4)7-14-8-11(13)6-12-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyUHNFCMGNHLSROG-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol (CID 3067041) is 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol is CCC(C)COCC(O)CNC(C)C.
What is the InChIKey of 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is UHNFCMGNHLSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-10(4)7-14-8-11(13)6-12-9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3067041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).