N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine

C12H19NO2 — CID 107139171

IUPACN-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
SMILESCNC(c1coc(C)c1)C1CCCOC1
InChIInChI=1S/C12H19NO2/c1-9-6-11(8-15-9)12(13-2)10-4-3-5-14-7-10/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyKEJUBMCMSVHSDF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine

N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine (PubChem CID 107139171) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
PubChem CID107139171
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
SMILESCNC(c1coc(C)c1)C1CCCOC1
InChIInChI=1S/C12H19NO2/c1-9-6-11(8-15-9)12(13-2)10-4-3-5-14-7-10/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyKEJUBMCMSVHSDF-UHFFFAOYSA-N
XLogP2.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine (CID 107139171) is N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine is CNC(c1coc(C)c1)C1CCCOC1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine?
The InChIKey is KEJUBMCMSVHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-6-11(8-15-9)12(13-2)10-4-3-5-14-7-10/h6,8,10,12-13H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine?
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107139171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).