N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine

C13H20N2O2 — CID 55241639

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCOc1ccc(CNCC2CCCOC2)cn1
InChIInChI=1S/C13H20N2O2/c1-16-13-5-4-11(9-15-13)7-14-8-12-3-2-6-17-10-12/h4-5,9,12,14H,2-3,6-8,10H2,1H3
InChIKeyGWMLJVIIFZUEJK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 55241639) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID55241639
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
SMILESCOc1ccc(CNCC2CCCOC2)cn1
InChIInChI=1S/C13H20N2O2/c1-16-13-5-4-11(9-15-13)7-14-8-12-3-2-6-17-10-12/h4-5,9,12,14H,2-3,6-8,10H2,1H3
InChIKeyGWMLJVIIFZUEJK-UHFFFAOYSA-N
XLogP1.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
1-(1,1-dioxothiolan-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936682
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine (CID 55241639) is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine is COc1ccc(CNCC2CCCOC2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is GWMLJVIIFZUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-13-5-4-11(9-15-13)7-14-8-12-3-2-6-17-10-12/h4-5,9,12,14H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 55241639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).