5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine

C9H15BN2O — CID 123378414

IUPAC5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine
SMILESCOB(C)c1ccc(N(C)C)nc1
InChIInChI=1S/C9H15BN2O/c1-10(13-4)8-5-6-9(11-7-8)12(2)3/h5-7H,1-4H3
InChIKeyABILVCQSHPBIBO-UHFFFAOYSA-N
MW178.04 g/mol
LogP0.62
Rot. Bonds3

About 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine

5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine (PubChem CID 123378414) has the molecular formula C9H15BN2O and a molecular weight of 178.04 g/mol. Its IUPAC name is 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine
PubChem CID123378414
Molecular FormulaC9H15BN2O
Molecular Weight178.04 g/mol
Exact Mass178.13
IUPAC Name5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine
SMILESCOB(C)c1ccc(N(C)C)nc1
InChIInChI=1S/C9H15BN2O/c1-10(13-4)8-5-6-9(11-7-8)12(2)3/h5-7H,1-4H3
InChIKeyABILVCQSHPBIBO-UHFFFAOYSA-N
XLogP0.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,5-N,5-N-tetramethylpyridine-2,5-diamine
CID 122684073
6-(dimethylamino)pyridin-3-ol
CID 11715188
5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine
CID 25150068
3-[6-(dimethylamino)-3-pyridinyl]cyclopent-2-en-1-one
CID 130509903
N,N-dimethyl-5-propylpyridin-2-amine
CID 23544386
CID 140659718
CID 140659718
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
3-[6-(dimethylamino)-3-pyridinyl]azetidin-3-ol
CID 126976774
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95732568
N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
CID 58483730
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine (CID 123378414) is 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine is COB(C)c1ccc(N(C)C)nc1.
What is the InChIKey of 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is ABILVCQSHPBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN2O/c1-10(13-4)8-5-6-9(11-7-8)12(2)3/h5-7H,1-4H3.
What are the key properties of 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine?
5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 178.04 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(methyl)boranyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 123378414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).