di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol

C15H21NO — CID 112743475

IUPACdi(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)(C2CCC2)C2CCC2)c1
InChIInChI=1S/C15H21NO/c1-11-8-14(10-16-9-11)15(17,12-4-2-5-12)13-6-3-7-13/h8-10,12-13,17H,2-7H2,1H3
InChIKeyNOYIEVOMWIDTEN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds3

About di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol

di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 112743475) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Namedi(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
PubChem CID112743475
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namedi(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)(C2CCC2)C2CCC2)c1
InChIInChI=1S/C15H21NO/c1-11-8-14(10-16-9-11)15(17,12-4-2-5-12)13-6-3-7-13/h8-10,12-13,17H,2-7H2,1H3
InChIKeyNOYIEVOMWIDTEN-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol (CID 112743475) is di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)(C2CCC2)C2CCC2)c1.
What is the InChIKey of di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is NOYIEVOMWIDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-14(10-16-9-11)15(17,12-4-2-5-12)13-6-3-7-13/h8-10,12-13,17H,2-7H2,1H3.
What are the key properties of di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol?
di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 231.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 112743475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).