2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol

C20H43NO2 — CID 10268400

IUPAC2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(N)CO
InChIInChI=1S/C20H43NO2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(21)15-22/h16-19,22-23H,6-15,21H2,1-5H3
InChIKeyWDYIFOMXHWICLM-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.50
Rot. Bonds14

About 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol

2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol (PubChem CID 10268400) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol.

Molecular Properties

Compound Name2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol
PubChem CID10268400
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(N)CO
InChIInChI=1S/C20H43NO2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(21)15-22/h16-19,22-23H,6-15,21H2,1-5H3
InChIKeyWDYIFOMXHWICLM-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol?
The IUPAC name of 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol (CID 10268400) is 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol.
What is the SMILES notation for 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol?
The canonical SMILES for 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(N)CO.
What is the InChIKey of 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol?
The InChIKey is WDYIFOMXHWICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(21)15-22/h16-19,22-23H,6-15,21H2,1-5H3.
What are the key properties of 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol?
2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol has a molecular weight of 329.57 g/mol, XLogP of 4.50, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7,11,15-tetramethylhexadecane-1,3-diol is sourced from PubChem (CID 10268400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).