3-amino-4-pentan-2-yloxyheptan-2-ol

C12H27NO2 — CID 89301923

IUPAC3-amino-4-pentan-2-yloxyheptan-2-ol
SMILESCCCC(C)OC(CCC)C(N)C(C)O
InChIInChI=1S/C12H27NO2/c1-5-7-9(3)15-11(8-6-2)12(13)10(4)14/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKIEBUQRLUGVQFC-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.07
Rot. Bonds8

About 3-amino-4-pentan-2-yloxyheptan-2-ol

3-amino-4-pentan-2-yloxyheptan-2-ol (PubChem CID 89301923) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-amino-4-pentan-2-yloxyheptan-2-ol.

Molecular Properties

Compound Name3-amino-4-pentan-2-yloxyheptan-2-ol
PubChem CID89301923
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-amino-4-pentan-2-yloxyheptan-2-ol
SMILESCCCC(C)OC(CCC)C(N)C(C)O
InChIInChI=1S/C12H27NO2/c1-5-7-9(3)15-11(8-6-2)12(13)10(4)14/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKIEBUQRLUGVQFC-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
2-[di(pentan-2-yloxy)methoxy]pentane
CID 19428773
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
(2R)-3-methylhexan-2-ol
CID 88692749
2-pentan-3-yloxypentane
CID 91256227
(3S,4S,5R)-4-amino-5-hydroxy-3-methoxyhexanal
CID 131853597
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
ethyl 2-fluoro-2-pentan-2-yloxyacetate
CID 102980056
4-ethoxy-2-methylheptan-3-amine
CID 116717495
1-amino-4,5-dimethyloctan-1-ol
CID 88903955
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-pentan-2-yloxyheptan-2-ol?
The IUPAC name of 3-amino-4-pentan-2-yloxyheptan-2-ol (CID 89301923) is 3-amino-4-pentan-2-yloxyheptan-2-ol.
What is the SMILES notation for 3-amino-4-pentan-2-yloxyheptan-2-ol?
The canonical SMILES for 3-amino-4-pentan-2-yloxyheptan-2-ol is CCCC(C)OC(CCC)C(N)C(C)O.
What is the InChIKey of 3-amino-4-pentan-2-yloxyheptan-2-ol?
The InChIKey is KIEBUQRLUGVQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-7-9(3)15-11(8-6-2)12(13)10(4)14/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of 3-amino-4-pentan-2-yloxyheptan-2-ol?
3-amino-4-pentan-2-yloxyheptan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-pentan-2-yloxyheptan-2-ol is sourced from PubChem (CID 89301923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).