5-(aminomethyl)-2,3-dimethyloctan-4-ol

C11H25NO — CID 79411447

IUPAC5-(aminomethyl)-2,3-dimethyloctan-4-ol
SMILESCCCC(CN)C(O)C(C)C(C)C
InChIInChI=1S/C11H25NO/c1-5-6-10(7-12)11(13)9(4)8(2)3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyMAVBWWHOYXIUFO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.01
Rot. Bonds6

About 5-(aminomethyl)-2,3-dimethyloctan-4-ol

5-(aminomethyl)-2,3-dimethyloctan-4-ol (PubChem CID 79411447) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dimethyloctan-4-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dimethyloctan-4-ol
PubChem CID79411447
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-(aminomethyl)-2,3-dimethyloctan-4-ol
SMILESCCCC(CN)C(O)C(C)C(C)C
InChIInChI=1S/C11H25NO/c1-5-6-10(7-12)11(13)9(4)8(2)3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyMAVBWWHOYXIUFO-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Aminomethyl)-3-methylpentan-1-ol
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1-Amino-3,4-dimethyl-hexan-2-ol
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3-Amino-1-cyclobutyl-2,2-dimethylpropan-1-OL
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CID 12085179
1-Amino-2-methylhexan-3-ol
CID 65190107
2-(Aminomethyl)-3-butylheptan-1-ol
CID 102387599
3-Aminomethyl-cyclododecanol
CID 78065119
2-(Aminomethyl)-1-(4,4-difluorocyclohexyl)-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dimethyloctan-4-ol?
The IUPAC name of 5-(aminomethyl)-2,3-dimethyloctan-4-ol (CID 79411447) is 5-(aminomethyl)-2,3-dimethyloctan-4-ol.
What is the SMILES notation for 5-(aminomethyl)-2,3-dimethyloctan-4-ol?
The canonical SMILES for 5-(aminomethyl)-2,3-dimethyloctan-4-ol is CCCC(CN)C(O)C(C)C(C)C.
What is the InChIKey of 5-(aminomethyl)-2,3-dimethyloctan-4-ol?
The InChIKey is MAVBWWHOYXIUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-10(7-12)11(13)9(4)8(2)3/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2,3-dimethyloctan-4-ol?
5-(aminomethyl)-2,3-dimethyloctan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dimethyloctan-4-ol is sourced from PubChem (CID 79411447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).