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

C17H29BN2O2 — CID 58486170

IUPACN,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H29BN2O2/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20(7)13-12-19(5)6/h8-11H,12-13H2,1-7H3
InChIKeyHOUCFPDZEJPGIO-UHFFFAOYSA-N
MW304.24 g/mol
LogP1.98
Rot. Bonds5

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

N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 58486170) has the molecular formula C17H29BN2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine
PubChem CID58486170
Molecular FormulaC17H29BN2O2
Molecular Weight304.24 g/mol
Exact Mass304.23
IUPAC NameN,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H29BN2O2/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20(7)13-12-19(5)6/h8-11H,12-13H2,1-7H3
InChIKeyHOUCFPDZEJPGIO-UHFFFAOYSA-N
XLogP1.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
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,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine (CID 58486170) is N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine is CN(C)CCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is HOUCFPDZEJPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BN2O2/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20(7)13-12-19(5)6/h8-11H,12-13H2,1-7H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 304.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 58486170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).