N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C17H27BN2O2 — CID 44755168

IUPACN-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NC3CCCCC3)nc2)OC1(C)C
InChIInChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,19,20)
InChIKeyOUNIDPZAEODMBT-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.13
Rot. Bonds3

About N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 44755168) has the molecular formula C17H27BN2O2 and a molecular weight of 302.23 g/mol. Its IUPAC name is N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID44755168
Molecular FormulaC17H27BN2O2
Molecular Weight302.23 g/mol
Exact Mass302.22
IUPAC NameN-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NC3CCCCC3)nc2)OC1(C)C
InChIInChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,19,20)
InChIKeyOUNIDPZAEODMBT-UHFFFAOYSA-N
XLogP3.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 44755168) is N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(NC3CCCCC3)nc2)OC1(C)C.
What is the InChIKey of N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is OUNIDPZAEODMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,19,20).
What are the key properties of N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 302.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 44755168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).