1-(furan-3-yl)-N-methylmethanamine

C6H9NO — CID 13112617

IUPAC1-(furan-3-yl)-N-methylmethanamine
SMILESCNCc1ccoc1
InChIInChI=1S/C6H9NO/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
InChIKeyYDXZHRKIFGGQDE-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.00
Rot. Bonds2

About 1-(furan-3-yl)-N-methylmethanamine

1-(furan-3-yl)-N-methylmethanamine (PubChem CID 13112617) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methylmethanamine
PubChem CID13112617
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(furan-3-yl)-N-methylmethanamine
SMILESCNCc1ccoc1
InChIInChI=1S/C6H9NO/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
InChIKeyYDXZHRKIFGGQDE-UHFFFAOYSA-N
XLogP1.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(furan-3-yl)-N-methylmethanamine (CID 13112617) is 1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methylmethanamine is CNCc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is YDXZHRKIFGGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-methylmethanamine?
1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 111.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 13112617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).