4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine

C11H17BN2O2 — CID 174760251

IUPAC4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N)OC1(C)Cc1ccccn1
InChIInChI=1S/C11H17BN2O2/c1-10(2)11(3,16-12(13)15-10)8-9-6-4-5-7-14-9/h4-7H,8,13H2,1-3H3
InChIKeyACFGJHXXSNIGKX-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.15
Rot. Bonds2

About 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine

4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine (PubChem CID 174760251) has the molecular formula C11H17BN2O2 and a molecular weight of 220.08 g/mol. Its IUPAC name is 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound Name4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine
PubChem CID174760251
Molecular FormulaC11H17BN2O2
Molecular Weight220.08 g/mol
Exact Mass220.14
IUPAC Name4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N)OC1(C)Cc1ccccn1
InChIInChI=1S/C11H17BN2O2/c1-10(2)11(3,16-12(13)15-10)8-9-6-4-5-7-14-9/h4-7H,8,13H2,1-3H3
InChIKeyACFGJHXXSNIGKX-UHFFFAOYSA-N
XLogP1.15
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-yl]benzamide
CID 162471873
acetylene;2-ethylpyridine
CID 145358493
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
ethane;2-ethylpyridine
CID 91102000
ethane;pyridin-2-ylmethanamine
CID 90791011
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine;methane
CID 142439308
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
2-methyl-4-(pyridin-2-ylmethyl)piperidin-4-ol
CID 112709112
4,4-dimethyl-3-(pyridin-2-ylmethyl)thian-3-ol
CID 79955450
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine?
The IUPAC name of 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine (CID 174760251) is 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine is CC1(C)OB(N)OC1(C)Cc1ccccn1.
What is the InChIKey of 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine?
The InChIKey is ACFGJHXXSNIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2/c1-10(2)11(3,16-12(13)15-10)8-9-6-4-5-7-14-9/h4-7H,8,13H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine?
4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine has a molecular weight of 220.08 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-5-(pyridin-2-ylmethyl)-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 174760251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).