5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid

C14H18N2O4 — CID 63316815

IUPAC5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C)C(CNCc1ccc(C(=O)O)o1)c1ccco1
InChIInChI=1S/C14H18N2O4/c1-16(2)11(12-4-3-7-19-12)9-15-8-10-5-6-13(20-10)14(17)18/h3-7,11,15H,8-9H2,1-2H3,(H,17,18)
InChIKeyUVKMSPQBIIIUFX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.96
Rot. Bonds7

About 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 63316815) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
PubChem CID63316815
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C)C(CNCc1ccc(C(=O)O)o1)c1ccco1
InChIInChI=1S/C14H18N2O4/c1-16(2)11(12-4-3-7-19-12)9-15-8-10-5-6-13(20-10)14(17)18/h3-7,11,15H,8-9H2,1-2H3,(H,17,18)
InChIKeyUVKMSPQBIIIUFX-UHFFFAOYSA-N
XLogP1.96
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43181132
5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
CID 102696456
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid (CID 63316815) is 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid is CN(C)C(CNCc1ccc(C(=O)O)o1)c1ccco1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is UVKMSPQBIIIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)11(12-4-3-7-19-12)9-15-8-10-5-6-13(20-10)14(17)18/h3-7,11,15H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63316815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).