1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C8H13NO — CID 43163687

IUPAC1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNCc1cc(C)oc1C
InChIInChI=1S/C8H13NO/c1-6-4-8(5-9-3)7(2)10-6/h4,9H,5H2,1-3H3
InChIKeyCPLYWFGMMQTLJX-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 43163687) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID43163687
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNCc1cc(C)oc1C
InChIInChI=1S/C8H13NO/c1-6-4-8(5-9-3)7(2)10-6/h4,9H,5H2,1-3H3
InChIKeyCPLYWFGMMQTLJX-UHFFFAOYSA-N
XLogP1.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
CID 90536150
(2,5-dimethylfuran-3-yl)methanol
CID 10396847
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylsulfonylethanamine
CID 115876171
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115875875
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 43163687) is 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNCc1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is CPLYWFGMMQTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(5-9-3)7(2)10-6/h4,9H,5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43163687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).