3-amino-2,3-dimethylhenicosan-1-ol

C23H49NO — CID 87131556

IUPAC3-amino-2,3-dimethylhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)C(C)CO
InChIInChI=1S/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,24)22(2)21-25/h22,25H,4-21,24H2,1-3H3
InChIKeyYBXSJVWMLCQPHG-UHFFFAOYSA-N
MW355.65 g/mol
LogP6.98
Rot. Bonds19

About 3-amino-2,3-dimethylhenicosan-1-ol

3-amino-2,3-dimethylhenicosan-1-ol (PubChem CID 87131556) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is 3-amino-2,3-dimethylhenicosan-1-ol.

Molecular Properties

Compound Name3-amino-2,3-dimethylhenicosan-1-ol
PubChem CID87131556
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Name3-amino-2,3-dimethylhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)C(C)CO
InChIInChI=1S/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,24)22(2)21-25/h22,25H,4-21,24H2,1-3H3
InChIKeyYBXSJVWMLCQPHG-UHFFFAOYSA-N
XLogP6.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 56.98
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

11,12-dimethylheptacosan-11-amine
CID 174255229
3-amino-3,4-dimethylhenicosan-1-ol;hydrobromide
CID 175455165
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-amino-2-methylhexadecan-1-ol
CID 87201246
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol
CID 87981281

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dimethylhenicosan-1-ol?
The IUPAC name of 3-amino-2,3-dimethylhenicosan-1-ol (CID 87131556) is 3-amino-2,3-dimethylhenicosan-1-ol.
What is the SMILES notation for 3-amino-2,3-dimethylhenicosan-1-ol?
The canonical SMILES for 3-amino-2,3-dimethylhenicosan-1-ol is CCCCCCCCCCCCCCCCCCC(C)(N)C(C)CO.
What is the InChIKey of 3-amino-2,3-dimethylhenicosan-1-ol?
The InChIKey is YBXSJVWMLCQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,24)22(2)21-25/h22,25H,4-21,24H2,1-3H3.
What are the key properties of 3-amino-2,3-dimethylhenicosan-1-ol?
3-amino-2,3-dimethylhenicosan-1-ol has a molecular weight of 355.65 g/mol, XLogP of 6.98, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dimethylhenicosan-1-ol is sourced from PubChem (CID 87131556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).