5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid

C15H24N2O3 — CID 105415399

IUPAC5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN(C)CC2(N(C)C)CCC2)oc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11-8-12(20-13(11)14(18)19)9-17(4)10-15(16(2)3)6-5-7-15/h8H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeySCNMWVXZNPFZFM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.20
Rot. Bonds6

About 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 105415399) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID105415399
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN(C)CC2(N(C)C)CCC2)oc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11-8-12(20-13(11)14(18)19)9-17(4)10-15(16(2)3)6-5-7-15/h8H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeySCNMWVXZNPFZFM-UHFFFAOYSA-N
XLogP2.20
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 63236410
5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 79387056
3-methyl-5-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 61451391
5-[(dipropylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 43621043
5-[[bis(2-methylpropyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 61377893
3-methyl-5-[[methyl(pentan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 43621110
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 65281605
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
CID 105415380

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid (CID 105415399) is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN(C)CC2(N(C)C)CCC2)oc1C(=O)O.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is SCNMWVXZNPFZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-8-12(20-13(11)14(18)19)9-17(4)10-15(16(2)3)6-5-7-15/h8H,5-7,9-10H2,1-4H3,(H,18,19).
What are the key properties of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 105415399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).