1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine

C12H22N2O2 — CID 79680233

IUPAC1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCc1ccoc1CN
InChIInChI=1S/C12H22N2O2/c1-12(2,14(3)4)9-15-8-10-5-6-16-11(10)7-13/h5-6H,7-9,13H2,1-4H3
InChIKeyIYZBHEPGMDSRFP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.60
Rot. Bonds6

About 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine

1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79680233) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79680233
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCc1ccoc1CN
InChIInChI=1S/C12H22N2O2/c1-12(2,14(3)4)9-15-8-10-5-6-16-11(10)7-13/h5-6H,7-9,13H2,1-4H3
InChIKeyIYZBHEPGMDSRFP-UHFFFAOYSA-N
XLogP1.60
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine (CID 79680233) is 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COCc1ccoc1CN.
What is the InChIKey of 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is IYZBHEPGMDSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,14(3)4)9-15-8-10-5-6-16-11(10)7-13/h5-6H,7-9,13H2,1-4H3.
What are the key properties of 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine?
1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)furan-3-yl]methoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79680233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).