3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

C13H20N2O2 — CID 81238425

IUPAC3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(N(C)CC2CC(O)C2)c(CO)cn1
InChIInChI=1S/C13H20N2O2/c1-9-3-13(11(8-16)6-14-9)15(2)7-10-4-12(17)5-10/h3,6,10,12,16-17H,4-5,7-8H2,1-2H3
InChIKeyYBYSKGMCLZQVMA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds4

About 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 81238425) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID81238425
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(N(C)CC2CC(O)C2)c(CO)cn1
InChIInChI=1S/C13H20N2O2/c1-9-3-13(11(8-16)6-14-9)15(2)7-10-4-12(17)5-10/h3,6,10,12,16-17H,4-5,7-8H2,1-2H3
InChIKeyYBYSKGMCLZQVMA-UHFFFAOYSA-N
XLogP1.09
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (CID 81238425) is 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is Cc1cc(N(C)CC2CC(O)C2)c(CO)cn1.
What is the InChIKey of 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is YBYSKGMCLZQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-3-13(11(8-16)6-14-9)15(2)7-10-4-12(17)5-10/h3,6,10,12,16-17H,4-5,7-8H2,1-2H3.
What are the key properties of 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 81238425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).