5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid

C16H21NO3 — CID 104608471

IUPAC5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C16H21NO3/c18-16(19)10-4-11(20-8-10)7-17-15-6-9-5-14(15)13-3-1-2-12(9)13/h4,8-9,12-15,17H,1-3,5-7H2,(H,18,19)
InChIKeyVLIHUICEJZZNNT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds4

About 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid

5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608471) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
PubChem CID104608471
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C16H21NO3/c18-16(19)10-4-11(20-8-10)7-17-15-6-9-5-14(15)13-3-1-2-12(9)13/h4,8-9,12-15,17H,1-3,5-7H2,(H,18,19)
InChIKeyVLIHUICEJZZNNT-UHFFFAOYSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
5-[[(3-methylcyclohexyl)amino]methyl]furan-3-carboxylic acid
CID 113432450
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid
CID 104609241
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
CID 104608366
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]furan-3-carboxylic acid
CID 104608943
5-[[(1,1-dioxothian-4-yl)amino]methyl]furan-3-carboxylic acid
CID 104608237
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
5-(cyclohexyloxymethyl)furan-3-carboxylic acid
CID 62267257
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
CID 115652912
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528

Frequently Asked Questions

What is the IUPAC name of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid (CID 104608471) is 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid?
The InChIKey is VLIHUICEJZZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)10-4-11(20-8-10)7-17-15-6-9-5-14(15)13-3-1-2-12(9)13/h4,8-9,12-15,17H,1-3,5-7H2,(H,18,19).
What are the key properties of 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid?
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).