2-(aminomethyl)-2,4-diethyloctan-1-ol

C13H29NO — CID 106508240

IUPAC2-(aminomethyl)-2,4-diethyloctan-1-ol
SMILESCCCCC(CC)CC(CC)(CN)CO
InChIInChI=1S/C13H29NO/c1-4-7-8-12(5-2)9-13(6-3,10-14)11-15/h12,15H,4-11,14H2,1-3H3
InChIKeyQJZYSCZKBPPBOS-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.94
Rot. Bonds9

About 2-(aminomethyl)-2,4-diethyloctan-1-ol

2-(aminomethyl)-2,4-diethyloctan-1-ol (PubChem CID 106508240) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2,4-diethyloctan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2,4-diethyloctan-1-ol
PubChem CID106508240
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(aminomethyl)-2,4-diethyloctan-1-ol
SMILESCCCCC(CC)CC(CC)(CN)CO
InChIInChI=1S/C13H29NO/c1-4-7-8-12(5-2)9-13(6-3,10-14)11-15/h12,15H,4-11,14H2,1-3H3
InChIKeyQJZYSCZKBPPBOS-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-Amino-2-methylpropyl)cyclopentyl]methanol
CID 121552833
3-Amino-2-cyclohexylpropan-1-ol
CID 15056419
(1-(Aminomethyl)cycloheptyl)methanol
CID 23120751
2-(Aminomethyl)-2-methylcyclohexan-1-ol
CID 59871611
[1-(Aminomethyl)cyclohexyl]methanol hydrochloride
CID 67800019
[1-(Aminomethyl)-4,4-dimethylcyclohexyl]methanol
CID 79124978
3-Amino-2-(cyclopentylmethyl)propan-1-ol
CID 62314330
(2-(Aminomethyl)spiro(3.3)heptan-2-yl)methanol
CID 65009546
[1-(Aminomethyl)-4-methylcyclohexyl]methanol
CID 65653068
3-Amino-1-cyclobutyl-2,2-dimethylpropan-1-OL
CID 80487110
3-[1-(Aminomethyl)cyclopentyl]propan-1-ol
CID 130514668
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,4-diethyloctan-1-ol?
The IUPAC name of 2-(aminomethyl)-2,4-diethyloctan-1-ol (CID 106508240) is 2-(aminomethyl)-2,4-diethyloctan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2,4-diethyloctan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2,4-diethyloctan-1-ol is CCCCC(CC)CC(CC)(CN)CO.
What is the InChIKey of 2-(aminomethyl)-2,4-diethyloctan-1-ol?
The InChIKey is QJZYSCZKBPPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-8-12(5-2)9-13(6-3,10-14)11-15/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2,4-diethyloctan-1-ol?
2-(aminomethyl)-2,4-diethyloctan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,4-diethyloctan-1-ol is sourced from PubChem (CID 106508240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).