1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine

C32H38BNO2 — CID 142124690

IUPAC1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine
SMILESCOB(NC(C)C1CCCCC1)OC(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C32H38BNO2/c1-24(27-10-4-3-5-11-27)34-33(35-2)36-32(22-25-16-18-28-12-6-8-14-30(28)20-25)23-26-17-19-29-13-7-9-15-31(29)21-26/h6-9,12-21,24,27,32,34H,3-5,10-11,22-23H2,1-2H3
InChIKeyBOHBXYLUTFMBQA-UHFFFAOYSA-N
MW479.47 g/mol
LogP7.35
Rot. Bonds10

About 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine

1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine (PubChem CID 142124690) has the molecular formula C32H38BNO2 and a molecular weight of 479.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine
PubChem CID142124690
Molecular FormulaC32H38BNO2
Molecular Weight479.47 g/mol
Exact Mass479.30
IUPAC Name1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine
SMILESCOB(NC(C)C1CCCCC1)OC(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C32H38BNO2/c1-24(27-10-4-3-5-11-27)34-33(35-2)36-32(22-25-16-18-28-12-6-8-14-30(28)20-25)23-26-17-19-29-13-7-9-15-31(29)21-26/h6-9,12-21,24,27,32,34H,3-5,10-11,22-23H2,1-2H3
InChIKeyBOHBXYLUTFMBQA-UHFFFAOYSA-N
XLogP7.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclohexyl-2-cyclopentylpropyl)naphthalene
CID 57267365
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-(cyclohexyloxymethyl)naphthalene
CID 10705229
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
N-[(2S)-3-naphthalen-2-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 172539665
N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 12779941

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine (CID 142124690) is 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine is COB(NC(C)C1CCCCC1)OC(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine?
The InChIKey is BOHBXYLUTFMBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38BNO2/c1-24(27-10-4-3-5-11-27)34-33(35-2)36-32(22-25-16-18-28-12-6-8-14-30(28)20-25)23-26-17-19-29-13-7-9-15-31(29)21-26/h6-9,12-21,24,27,32,34H,3-5,10-11,22-23H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine?
1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine has a molecular weight of 479.47 g/mol, XLogP of 7.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine is sourced from PubChem (CID 142124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).