(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine

C15H21BN2O2 — CID 171191399

IUPAC(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
SMILESCC1(C)OB([C@H](N)c2ccc3cc[nH]c3c2)OC1(C)C
InChIInChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)13(17)11-6-5-10-7-8-18-12(10)9-11/h5-9,13,18H,17H2,1-4H3/t13-/m1/s1
InChIKeyGNWNKRZTJNFCFK-CYBMUJFWSA-N
MW272.16 g/mol
LogP2.80
Rot. Bonds2

About (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine

(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine (PubChem CID 171191399) has the molecular formula C15H21BN2O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine.

Molecular Properties

Compound Name(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
PubChem CID171191399
Molecular FormulaC15H21BN2O2
Molecular Weight272.16 g/mol
Exact Mass272.17
IUPAC Name(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
SMILESCC1(C)OB([C@H](N)c2ccc3cc[nH]c3c2)OC1(C)C
InChIInChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)13(17)11-6-5-10-7-8-18-12(10)9-11/h5-9,13,18H,17H2,1-4H3/t13-/m1/s1
InChIKeyGNWNKRZTJNFCFK-CYBMUJFWSA-N
XLogP2.80
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The IUPAC name of (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine (CID 171191399) is (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine.
What is the SMILES notation for (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The canonical SMILES for (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine is CC1(C)OB([C@H](N)c2ccc3cc[nH]c3c2)OC1(C)C.
What is the InChIKey of (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The InChIKey is GNWNKRZTJNFCFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21BN2O2/c1-14(2)15(3,4)20-16(19-14)13(17)11-6-5-10-7-8-18-12(10)9-11/h5-9,13,18H,17H2,1-4H3/t13-/m1/s1.
What are the key properties of (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine has a molecular weight of 272.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine is sourced from PubChem (CID 171191399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).