N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine

C19H28BN3O2 — CID 90387864

IUPACN',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1
InChIInChI=1S/C19H28BN3O2/c1-18(2)19(3,4)25-20(24-18)15-13-17(21-11-12-23(5)6)22-16-10-8-7-9-14(15)16/h7-10,13H,11-12H2,1-6H3,(H,21,22)
InChIKeyVRPJTKYONOQSAM-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.51
Rot. Bonds5

About N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine (PubChem CID 90387864) has the molecular formula C19H28BN3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine
PubChem CID90387864
Molecular FormulaC19H28BN3O2
Molecular Weight341.26 g/mol
Exact Mass341.23
IUPAC NameN',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1
InChIInChI=1S/C19H28BN3O2/c1-18(2)19(3,4)25-20(24-18)15-13-17(21-11-12-23(5)6)22-16-10-8-7-9-14(15)16/h7-10,13H,11-12H2,1-6H3,(H,21,22)
InChIKeyVRPJTKYONOQSAM-UHFFFAOYSA-N
XLogP2.51
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine (CID 90387864) is N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine is CN(C)CCNc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1.
What is the InChIKey of N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine?
The InChIKey is VRPJTKYONOQSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BN3O2/c1-18(2)19(3,4)25-20(24-18)15-13-17(21-11-12-23(5)6)22-16-10-8-7-9-14(15)16/h7-10,13H,11-12H2,1-6H3,(H,21,22).
What are the key properties of N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine has a molecular weight of 341.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 90387864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).