1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid

C16H25BN2O3 — CID 143567168

IUPAC1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid
SMILESCC(N)C1Cc2ccccc2C1.O=CN1CCCC1B(O)O
InChIInChI=1S/C11H15N.C5H10BNO3/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;8-4-7-3-1-2-5(7)6(9)10/h2-5,8,11H,6-7,12H2,1H3;4-5,9-10H,1-3H2
InChIKeyWULDFOSOZMSMLA-UHFFFAOYSA-N
MW304.20 g/mol
LogP0.37
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid

1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid (PubChem CID 143567168) has the molecular formula C16H25BN2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid
PubChem CID143567168
Molecular FormulaC16H25BN2O3
Molecular Weight304.20 g/mol
Exact Mass304.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid
SMILESCC(N)C1Cc2ccccc2C1.O=CN1CCCC1B(O)O
InChIInChI=1S/C11H15N.C5H10BNO3/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;8-4-7-3-1-2-5(7)6(9)10/h2-5,8,11H,6-7,12H2,1H3;4-5,9-10H,1-3H2
InChIKeyWULDFOSOZMSMLA-UHFFFAOYSA-N
XLogP0.37
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 176811342
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626
1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine
CID 79177968
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-2-yl]ethanamine
CID 55168390
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
CID 119519283
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 125147410
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 12786685
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanone
CID 124677546

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid (CID 143567168) is 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid is CC(N)C1Cc2ccccc2C1.O=CN1CCCC1B(O)O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid?
The InChIKey is WULDFOSOZMSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C5H10BNO3/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;8-4-7-3-1-2-5(7)6(9)10/h2-5,8,11H,6-7,12H2,1H3;4-5,9-10H,1-3H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid?
1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid has a molecular weight of 304.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)ethanamine;(1-formylpyrrolidin-2-yl)boronic acid is sourced from PubChem (CID 143567168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).