2-amino-2-methylhexadecan-1-ol

C17H37NO — CID 87201246

IUPAC2-amino-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(N)CO
InChIInChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16,18H2,1-2H3
InChIKeyXXCHHDZOVOUSBT-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.79
Rot. Bonds14

About 2-amino-2-methylhexadecan-1-ol

2-amino-2-methylhexadecan-1-ol (PubChem CID 87201246) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-amino-2-methylhexadecan-1-ol.

Molecular Properties

Compound Name2-amino-2-methylhexadecan-1-ol
PubChem CID87201246
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-amino-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(N)CO
InChIInChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16,18H2,1-2H3
InChIKeyXXCHHDZOVOUSBT-UHFFFAOYSA-N
XLogP4.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.79
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

2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
3-amino-3-methyloctan-1-ol
CID 80558733
3-methyloctadecan-3-amine
CID 54058172
2-amino-5-butoxy-2-methylpentan-1-ol
CID 64807302
2-amino-2-methyl-1-sulfosulfanyloctane
CID 517721
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-methyloctane-1,2-diamine
CID 43519506
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2,2-dimethyldecan-1-ol
CID 520069

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhexadecan-1-ol?
The IUPAC name of 2-amino-2-methylhexadecan-1-ol (CID 87201246) is 2-amino-2-methylhexadecan-1-ol.
What is the SMILES notation for 2-amino-2-methylhexadecan-1-ol?
The canonical SMILES for 2-amino-2-methylhexadecan-1-ol is CCCCCCCCCCCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methylhexadecan-1-ol?
The InChIKey is XXCHHDZOVOUSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16,18H2,1-2H3.
What are the key properties of 2-amino-2-methylhexadecan-1-ol?
2-amino-2-methylhexadecan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.79, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhexadecan-1-ol is sourced from PubChem (CID 87201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).