2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol

C17H29NO — CID 25214647

IUPAC2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol
SMILESCCCCCCC(Cc1cccc(C)n1)C(C)(C)O
InChIInChI=1S/C17H29NO/c1-5-6-7-8-11-15(17(3,4)19)13-16-12-9-10-14(2)18-16/h9-10,12,15,19H,5-8,11,13H2,1-4H3
InChIKeyMIIFRMRVZRXAOB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.29
Rot. Bonds8

About 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol

2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol (PubChem CID 25214647) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol
PubChem CID25214647
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol
SMILESCCCCCCC(Cc1cccc(C)n1)C(C)(C)O
InChIInChI=1S/C17H29NO/c1-5-6-7-8-11-15(17(3,4)19)13-16-12-9-10-14(2)18-16/h9-10,12,15,19H,5-8,11,13H2,1-4H3
InChIKeyMIIFRMRVZRXAOB-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol?
The IUPAC name of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol (CID 25214647) is 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol.
What is the SMILES notation for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol?
The canonical SMILES for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol is CCCCCCC(Cc1cccc(C)n1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol?
The InChIKey is MIIFRMRVZRXAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-8-11-15(17(3,4)19)13-16-12-9-10-14(2)18-16/h9-10,12,15,19H,5-8,11,13H2,1-4H3.
What are the key properties of 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol?
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol is sourced from PubChem (CID 25214647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).