(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol

C25H47NO — CID 162644673

IUPAC(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@@H]1C=CCCN1C
InChIInChI=1S/C25H47NO/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/h10-11,18,20,24-25,27H,3-9,12-17,19,21-23H2,1-2H3/b11-10-/t24-,25-/m0/s1
InChIKeyPTGCJBCOVZTGOQ-HEWLLZEPSA-N
MW377.66 g/mol
LogP7.04
Rot. Bonds17

About (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol

(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol (PubChem CID 162644673) has the molecular formula C25H47NO and a molecular weight of 377.66 g/mol. Its IUPAC name is (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
PubChem CID162644673
Molecular FormulaC25H47NO
Molecular Weight377.66 g/mol
Exact Mass377.37
IUPAC Name(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@@H]1C=CCCN1C
InChIInChI=1S/C25H47NO/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/h10-11,18,20,24-25,27H,3-9,12-17,19,21-23H2,1-2H3/b11-10-/t24-,25-/m0/s1
InChIKeyPTGCJBCOVZTGOQ-HEWLLZEPSA-N
XLogP7.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 57.04
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 (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol?
The IUPAC name of (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol (CID 162644673) is (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol.
What is the SMILES notation for (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol?
The canonical SMILES for (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol is CCCCCCCC/C=C\CCCCCCC[C@H](O)C[C@@H]1C=CCCN1C.
What is the InChIKey of (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol?
The InChIKey is PTGCJBCOVZTGOQ-HEWLLZEPSA-N. The full InChI is InChI=1S/C25H47NO/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/h10-11,18,20,24-25,27H,3-9,12-17,19,21-23H2,1-2H3/b11-10-/t24-,25-/m0/s1.
What are the key properties of (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol?
(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol has a molecular weight of 377.66 g/mol, XLogP of 7.04, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol is sourced from PubChem (CID 162644673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).