1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine

C15H24N2O — CID 65194645

IUPAC1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ncc(C)c(OC)c2C)CCC1
InChIInChI=1S/C15H24N2O/c1-11-9-17-13(12(2)14(11)18-4)8-15(10-16-3)6-5-7-15/h9,16H,5-8,10H2,1-4H3
InChIKeyKLUMLYZJFKUYRE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 65194645) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID65194645
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1(Cc2ncc(C)c(OC)c2C)CCC1
InChIInChI=1S/C15H24N2O/c1-11-9-17-13(12(2)14(11)18-4)8-15(10-16-3)6-5-7-15/h9,16H,5-8,10H2,1-4H3
InChIKeyKLUMLYZJFKUYRE-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine (CID 65194645) is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine is CNCC1(Cc2ncc(C)c(OC)c2C)CCC1.
What is the InChIKey of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is KLUMLYZJFKUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-17-13(12(2)14(11)18-4)8-15(10-16-3)6-5-7-15/h9,16H,5-8,10H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 65194645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).