1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

C14H24N2O — CID 79183372

IUPAC1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CC(C)C(C)C2)oc1C
InChIInChI=1S/C14H24N2O/c1-10-7-16(8-11(10)2)9-14-5-13(6-15-4)12(3)17-14/h5,10-11,15H,6-9H2,1-4H3
InChIKeyLFMFRJPBMBDUGA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.40
Rot. Bonds4

About 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 79183372) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID79183372
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CC(C)C(C)C2)oc1C
InChIInChI=1S/C14H24N2O/c1-10-7-16(8-11(10)2)9-14-5-13(6-15-4)12(3)17-14/h5,10-11,15H,6-9H2,1-4H3
InChIKeyLFMFRJPBMBDUGA-UHFFFAOYSA-N
XLogP2.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 79183372) is 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(CN2CC(C)C(C)C2)oc1C.
What is the InChIKey of 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is LFMFRJPBMBDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-7-16(8-11(10)2)9-14-5-13(6-15-4)12(3)17-14/h5,10-11,15H,6-9H2,1-4H3.
What are the key properties of 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79183372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).