1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine

C14H22N2O2 — CID 82893030

IUPAC1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2cc(OC)cc(C)n2)C1
InChIInChI=1S/C14H22N2O2/c1-10-4-13(17-3)7-12(16-10)9-18-14-5-11(6-14)8-15-2/h4,7,11,14-15H,5-6,8-9H2,1-3H3
InChIKeyDWVDRGJKDLNLQJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.91
Rot. Bonds6

About 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine

1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine (PubChem CID 82893030) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine
PubChem CID82893030
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2cc(OC)cc(C)n2)C1
InChIInChI=1S/C14H22N2O2/c1-10-4-13(17-3)7-12(16-10)9-18-14-5-11(6-14)8-15-2/h4,7,11,14-15H,5-6,8-9H2,1-3H3
InChIKeyDWVDRGJKDLNLQJ-UHFFFAOYSA-N
XLogP1.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine (CID 82893030) is 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine is CNCC1CC(OCc2cc(OC)cc(C)n2)C1.
What is the InChIKey of 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine?
The InChIKey is DWVDRGJKDLNLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-13(17-3)7-12(16-10)9-18-14-5-11(6-14)8-15-2/h4,7,11,14-15H,5-6,8-9H2,1-3H3.
What are the key properties of 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine?
1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 82893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).