1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol

C13H27NO2 — CID 18592914

IUPAC1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol
SMILESCC1CCCC1OCC(O)CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10-6-5-7-12(10)16-9-11(15)8-14-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyYUWFEVVKRHHVAQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds5

About 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol

1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol (PubChem CID 18592914) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol
PubChem CID18592914
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol
SMILESCC1CCCC1OCC(O)CNC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10-6-5-7-12(10)16-9-11(15)8-14-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyYUWFEVVKRHHVAQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Tert-butylamino)-2-hydroxypropyl] cyclopentanecarboxylate
CID 44263968
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((1-methylpentyl)oxy)-, hydrochloride
CID 3067051
1-(Cyclopentyloxy)-3-(isobutylamino)-2-propanol
CID 13615222
3-[Bis(2-hydroxyethyl)amino]-1-(2-methylcyclopentyloxy)propan-2-ol
CID 16456359
1-(Cyclopentyloxy)-3-(isobutylamino)propan-2-ol hydrochloride
CID 16958187
1-[(2-Methylcyclopentyl)oxy]-3-[(2,4,4-trimethylpentan-2-YL)amino]propan-2-OL hydrochloride
CID 18592909
1-(Tert-butylamino)-3-hexan-2-yloxypropan-2-ol
CID 3067052
1-(Tert-butylamino)-3-((2-methylcyclopentyl)oxy)propan-2-ol hydrochloride
CID 18592913
1-(tert-Butylamino)-3-(2-cyclopropylethoxy)propan-2-ol
CID 21296269
(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol
CID 40840865
(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-morpholin-4-ium-4-ylpropan-2-ol
CID 42584478
(2S)-1-[(1S,2S)-2-methylcyclopentyl]oxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 42584486

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol (CID 18592914) is 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol is CC1CCCC1OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol?
The InChIKey is YUWFEVVKRHHVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-6-5-7-12(10)16-9-11(15)8-14-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol?
1-(tert-butylamino)-3-(2-methylcyclopentyl)oxypropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 5 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-methylcyclopentyl)oxypropan-2-ol is sourced from PubChem (CID 18592914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).