1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol

C12H18N2O2 — CID 114936941

IUPAC1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(CNCC2(O)CCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-16-11-4-3-10(8-14-11)7-13-9-12(15)5-2-6-12/h3-4,8,13,15H,2,5-7,9H2,1H3
InChIKeyOVWHFAJWIGTORC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds5

About 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol

1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 114936941) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID114936941
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(CNCC2(O)CCC2)cn1
InChIInChI=1S/C12H18N2O2/c1-16-11-4-3-10(8-14-11)7-13-9-12(15)5-2-6-12/h3-4,8,13,15H,2,5-7,9H2,1H3
InChIKeyOVWHFAJWIGTORC-UHFFFAOYSA-N
XLogP1.09
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol (CID 114936941) is 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol is COc1ccc(CNCC2(O)CCC2)cn1.
What is the InChIKey of 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is OVWHFAJWIGTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11-4-3-10(8-14-11)7-13-9-12(15)5-2-6-12/h3-4,8,13,15H,2,5-7,9H2,1H3.
What are the key properties of 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol?
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 114936941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).