N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

C16H25BN2O2 — CID 74890195

IUPACN,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCc1nc(N(C)C)ccc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BN2O2/c1-12-13(8-9-14(18-12)19(6)7)10-11-17-20-15(2,3)16(4,5)21-17/h8-11H,1-7H3/b11-10+
InChIKeyIKMGRLCMIRYPEL-ZHACJKMWSA-N
MW288.20 g/mol
LogP3.10
Rot. Bonds3

About N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine

N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (PubChem CID 74890195) has the molecular formula C16H25BN2O2 and a molecular weight of 288.20 g/mol. Its IUPAC name is N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
PubChem CID74890195
Molecular FormulaC16H25BN2O2
Molecular Weight288.20 g/mol
Exact Mass288.20
IUPAC NameN,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
SMILESCc1nc(N(C)C)ccc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BN2O2/c1-12-13(8-9-14(18-12)19(6)7)10-11-17-20-15(2,3)16(4,5)21-17/h8-11H,1-7H3/b11-10+
InChIKeyIKMGRLCMIRYPEL-ZHACJKMWSA-N
XLogP3.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]methanamine
CID 57416797
N,N-dimethyl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 175136228
1-[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]ethanamine
CID 74788754
N-[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]acetamide
CID 74788292
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
CID 23088099
2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416557
6-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 57416678
6-chloro-2-fluoro-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74789096
4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416520
2-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643894
3-fluoro-2,6-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888595
5,6-dimethyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 57416764

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The IUPAC name of N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine (CID 74890195) is N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine.
What is the SMILES notation for N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The canonical SMILES for N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is Cc1nc(N(C)C)ccc1/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
The InChIKey is IKMGRLCMIRYPEL-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H25BN2O2/c1-12-13(8-9-14(18-12)19(6)7)10-11-17-20-15(2,3)16(4,5)21-17/h8-11H,1-7H3/b11-10+.
What are the key properties of N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine?
N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 74890195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).