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

C13H29NO2 — CID 3067052

IUPAC1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol
SMILESCCCCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChIKeySPHSRZPMJSMTJK-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds8

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

1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol (PubChem CID 3067052) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol
PubChem CID3067052
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol
SMILESCCCCC(C)OCC(O)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChIKeySPHSRZPMJSMTJK-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 44274623
1-(Tert-butylamino)-3-isobutoxy-2-propanol
CID 12606684
1-(Tert-butylamino)-3-propan-2-yloxypropan-2-ol
CID 12606686
1-(Tert-butylamino)-3-(1-cyclopropylethoxy)propan-2-ol
CID 44274622
1-(Tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol
CID 44459891
2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
1-Butoxy-3-(tert-butylamino)propan-2-ol
CID 3067038
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(1-methylpropoxy)-
CID 3067040
2-Propanol, 1-(2-methylbutoxy)-3-((1-methylethyl)amino)-
CID 3067041
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(hexadecyloxy)-, hydrochloride
CID 3067045
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((1-methylpentyl)oxy)-, hydrochloride
CID 3067051
1-(Tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol (CID 3067052) is 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol is CCCCC(C)OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol?
The InChIKey is SPHSRZPMJSMTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol?
1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 3067052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).