(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol

C25H49NO — CID 162645797

IUPAC(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H]1C=CCCN1C
InChIInChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(27)23-24-20-18-19-22-26(24)2/h18,20,24-25,27H,3-17,19,21-23H2,1-2H3/t24-,25+/m0/s1
InChIKeyQICPFRBOCNVIQU-LOSJGSFVSA-N
MW379.67 g/mol
LogP7.26
Rot. Bonds18

About (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol

(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol (PubChem CID 162645797) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
PubChem CID162645797
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H]1C=CCCN1C
InChIInChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(27)23-24-20-18-19-22-26(24)2/h18,20,24-25,27H,3-17,19,21-23H2,1-2H3/t24-,25+/m0/s1
InChIKeyQICPFRBOCNVIQU-LOSJGSFVSA-N
XLogP7.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol?
The IUPAC name of (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol (CID 162645797) is (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol.
What is the SMILES notation for (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol?
The canonical SMILES for (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol is CCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H]1C=CCCN1C.
What is the InChIKey of (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol?
The InChIKey is QICPFRBOCNVIQU-LOSJGSFVSA-N. The full InChI is InChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(27)23-24-20-18-19-22-26(24)2/h18,20,24-25,27H,3-17,19,21-23H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol?
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol has a molecular weight of 379.67 g/mol, XLogP of 7.26, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol is sourced from PubChem (CID 162645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).