N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine

C15H24BN3O3 — CID 44755170

IUPACN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine
SMILESCC1(C)OB(c2ccc(NN3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-5-6-13(17-11-12)18-19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3,(H,17,18)
InChIKeyQBJANJDOISUFGP-UHFFFAOYSA-N
MW305.19 g/mol
LogP1.04
Rot. Bonds3

About N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine (PubChem CID 44755170) has the molecular formula C15H24BN3O3 and a molecular weight of 305.19 g/mol. Its IUPAC name is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine
PubChem CID44755170
Molecular FormulaC15H24BN3O3
Molecular Weight305.19 g/mol
Exact Mass305.19
IUPAC NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine
SMILESCC1(C)OB(c2ccc(NN3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-5-6-13(17-11-12)18-19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3,(H,17,18)
InChIKeyQBJANJDOISUFGP-UHFFFAOYSA-N
XLogP1.04
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine?
The IUPAC name of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine (CID 44755170) is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine.
What is the SMILES notation for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine?
The canonical SMILES for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine is CC1(C)OB(c2ccc(NN3CCOCC3)nc2)OC1(C)C.
What is the InChIKey of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine?
The InChIKey is QBJANJDOISUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-5-6-13(17-11-12)18-19-7-9-20-10-8-19/h5-6,11H,7-10H2,1-4H3,(H,17,18).
What are the key properties of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine?
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine has a molecular weight of 305.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine is sourced from PubChem (CID 44755170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).