[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine

C12H18N2O2 — CID 117051343

IUPAC[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COc2cccnc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(3-6-15-7-4-12)10-16-11-2-1-5-14-8-11/h1-2,5,8H,3-4,6-7,9-10,13H2
InChIKeyXFELJUQLJCACAM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds4

About [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine

[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine (PubChem CID 117051343) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
PubChem CID117051343
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COc2cccnc2)CCOCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(3-6-15-7-4-12)10-16-11-2-1-5-14-8-11/h1-2,5,8H,3-4,6-7,9-10,13H2
InChIKeyXFELJUQLJCACAM-UHFFFAOYSA-N
XLogP1.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine
CID 117051089
2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline
CID 117095489
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
CID 146119514
[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine
CID 117051362
4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 162796182
4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
CID 68527294
3-[5-[[1-(aminomethyl)cyclopropyl]methoxy]-3-pyridinyl]aniline;trihydrochloride
CID 68779485
1-[4-(aminomethyl)oxan-4-yl]-2-pyridin-3-ylethanone
CID 116603133

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine (CID 117051343) is [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine is NCC1(COc2cccnc2)CCOCC1.
What is the InChIKey of [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine?
The InChIKey is XFELJUQLJCACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(3-6-15-7-4-12)10-16-11-2-1-5-14-8-11/h1-2,5,8H,3-4,6-7,9-10,13H2.
What are the key properties of [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine?
[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 117051343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).