1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol

C23H49NO3 — CID 19928743

IUPAC1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CNCCCO
InChIInChI=1S/C23H49NO3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-23(5,27)22(26)18-24-16-9-17-25/h19-22,24-27H,6-18H2,1-5H3
InChIKeyQDMATTLFSGBTDE-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.51
Rot. Bonds18

About 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol

1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol (PubChem CID 19928743) has the molecular formula C23H49NO3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol.

Molecular Properties

Compound Name1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol
PubChem CID19928743
Molecular FormulaC23H49NO3
Molecular Weight387.65 g/mol
Exact Mass387.37
IUPAC Name1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CNCCCO
InChIInChI=1S/C23H49NO3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-23(5,27)22(26)18-24-16-9-17-25/h19-22,24-27H,6-18H2,1-5H3
InChIKeyQDMATTLFSGBTDE-UHFFFAOYSA-N
XLogP4.51
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol?
The IUPAC name of 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol (CID 19928743) is 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol.
What is the SMILES notation for 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol?
The canonical SMILES for 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CNCCCO.
What is the InChIKey of 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol?
The InChIKey is QDMATTLFSGBTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-23(5,27)22(26)18-24-16-9-17-25/h19-22,24-27H,6-18H2,1-5H3.
What are the key properties of 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol?
1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol has a molecular weight of 387.65 g/mol, XLogP of 4.51, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylamino)-3,7,11,15-tetramethylhexadecane-2,3-diol is sourced from PubChem (CID 19928743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).