3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol

C9H21NO2 — CID 104840592

IUPAC3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILESCCC(N)C(CO)OC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-5-7(10)8(6-11)12-9(2,3)4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyAOMHFTXQNWYUJY-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol

3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol (PubChem CID 104840592) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
PubChem CID104840592
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILESCCC(N)C(CO)OC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-5-7(10)8(6-11)12-9(2,3)4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyAOMHFTXQNWYUJY-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 43127622
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
CID 104840639
(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287985
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
hexane-3,4-diamine
CID 12656175
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 55015557

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The IUPAC name of 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol (CID 104840592) is 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The canonical SMILES for 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol is CCC(N)C(CO)OC(C)(C)C.
What is the InChIKey of 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The InChIKey is AOMHFTXQNWYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-7(10)8(6-11)12-9(2,3)4/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol is sourced from PubChem (CID 104840592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).