2-(aminomethyl)-2-hexyloctan-1-ol

C15H33NO — CID 11615677

IUPAC2-(aminomethyl)-2-hexyloctan-1-ol
SMILESCCCCCCC(CN)(CO)CCCCCC
InChIInChI=1S/C15H33NO/c1-3-5-7-9-11-15(13-16,14-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3
InChIKeyIGKJHDXTKVSPNF-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds12

About 2-(aminomethyl)-2-hexyloctan-1-ol

2-(aminomethyl)-2-hexyloctan-1-ol (PubChem CID 11615677) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-(aminomethyl)-2-hexyloctan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-hexyloctan-1-ol
PubChem CID11615677
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-(aminomethyl)-2-hexyloctan-1-ol
SMILESCCCCCCC(CN)(CO)CCCCCC
InChIInChI=1S/C15H33NO/c1-3-5-7-9-11-15(13-16,14-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3
InChIKeyIGKJHDXTKVSPNF-UHFFFAOYSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
(2-(Aminomethyl)spiro(3.3)heptan-2-yl)methanol
CID 65009546
[1-(Aminomethyl)-4-methylcyclohexyl]methanol
CID 65653068
3-[1-(Aminomethyl)cyclopentyl]propan-1-ol
CID 130514668
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-propylpentane-1-ol
CID 23120774
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
2-Aminomethyl-2-octyldecan-1-ol
CID 102474353
(1-(Aminomethyl)cyclohexyl)methanol
CID 22379486

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-hexyloctan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-hexyloctan-1-ol (CID 11615677) is 2-(aminomethyl)-2-hexyloctan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-hexyloctan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-hexyloctan-1-ol is CCCCCCC(CN)(CO)CCCCCC.
What is the InChIKey of 2-(aminomethyl)-2-hexyloctan-1-ol?
The InChIKey is IGKJHDXTKVSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-3-5-7-9-11-15(13-16,14-17)12-10-8-6-4-2/h17H,3-14,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-hexyloctan-1-ol?
2-(aminomethyl)-2-hexyloctan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-hexyloctan-1-ol is sourced from PubChem (CID 11615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).