N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine

C19H30BNO2 — CID 71306493

IUPACN-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
SMILESCC1(C)OB(c2ccc(CNC3CCCCC3)cc2)OC1(C)C
InChIInChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h10-13,17,21H,5-9,14H2,1-4H3
InChIKeyQAJAUSMIWXSUEL-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.41
Rot. Bonds4

About N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine

N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine (PubChem CID 71306493) has the molecular formula C19H30BNO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
PubChem CID71306493
Molecular FormulaC19H30BNO2
Molecular Weight315.27 g/mol
Exact Mass315.24
IUPAC NameN-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
SMILESCC1(C)OB(c2ccc(CNC3CCCCC3)cc2)OC1(C)C
InChIInChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h10-13,17,21H,5-9,14H2,1-4H3
InChIKeyQAJAUSMIWXSUEL-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine (CID 71306493) is N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine is CC1(C)OB(c2ccc(CNC3CCCCC3)cc2)OC1(C)C.
What is the InChIKey of N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine?
The InChIKey is QAJAUSMIWXSUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h10-13,17,21H,5-9,14H2,1-4H3.
What are the key properties of N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine?
N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine has a molecular weight of 315.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 71306493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).