3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid

C15H23NO3 — CID 103249972

IUPAC3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid
SMILESCCC(NCc1ccoc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H23NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-19-14(12)15(17)18/h8-9,11,13,16H,2-7,10H2,1H3,(H,17,18)
InChIKeyNILCRYQGAFTBGY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.43
Rot. Bonds6

About 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid

3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid (PubChem CID 103249972) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid
PubChem CID103249972
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid
SMILESCCC(NCc1ccoc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H23NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-19-14(12)15(17)18/h8-9,11,13,16H,2-7,10H2,1H3,(H,17,18)
InChIKeyNILCRYQGAFTBGY-UHFFFAOYSA-N
XLogP3.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid (CID 103249972) is 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid is CCC(NCc1ccoc1C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid?
The InChIKey is NILCRYQGAFTBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12-8-9-19-14(12)15(17)18/h8-9,11,13,16H,2-7,10H2,1H3,(H,17,18).
What are the key properties of 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid?
3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103249972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).