1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride

C13H30ClNO2 — CID 3067051

IUPAC1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride
SMILESCCCCC(C)OCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C13H29NO2.ClH/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5;/h11-12,14-15H,6-10H2,1-5H3;1H
InChIKeyKIIPNQLSFZLHAC-UHFFFAOYSA-N
MW267.84 g/mol
LogP2.75
Rot. Bonds8

About 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride

1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 3067051) has the molecular formula C13H30ClNO2 and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride
PubChem CID3067051
Molecular FormulaC13H30ClNO2
Molecular Weight267.84 g/mol
Exact Mass267.20
IUPAC Name1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride
SMILESCCCCC(C)OCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C13H29NO2.ClH/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5;/h11-12,14-15H,6-10H2,1-5H3;1H
InChIKeyKIIPNQLSFZLHAC-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 52.75
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-hexan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride (CID 3067051) is 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride is CCCCC(C)OCC(O)CNC(C)(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is KIIPNQLSFZLHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2.ClH/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5;/h11-12,14-15H,6-10H2,1-5H3;1H.
What are the key properties of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride?
1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 267.84 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 3067051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).