4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole

C13H25BN2 — CID 174041396

IUPAC4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole
SMILESCCCCc1nbn(C)c1C(CC)CCC
InChIInChI=1S/C13H25BN2/c1-5-8-10-12-13(16(4)14-15-12)11(7-3)9-6-2/h11H,5-10H2,1-4H3
InChIKeyMKIUOKNTCFXGIT-UHFFFAOYSA-N
MW220.17 g/mol
LogP3.39
Rot. Bonds7

About 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole

4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole (PubChem CID 174041396) has the molecular formula C13H25BN2 and a molecular weight of 220.17 g/mol. Its IUPAC name is 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole.

Molecular Properties

Compound Name4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole
PubChem CID174041396
Molecular FormulaC13H25BN2
Molecular Weight220.17 g/mol
Exact Mass220.21
IUPAC Name4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole
SMILESCCCCc1nbn(C)c1C(CC)CCC
InChIInChI=1S/C13H25BN2/c1-5-8-10-12-13(16(4)14-15-12)11(7-3)9-6-2/h11H,5-10H2,1-4H3
InChIKeyMKIUOKNTCFXGIT-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
1,4-dimethyl-5-nonan-3-ylpyrazole
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3,4-dibutyl-1-methylpyrazole
CID 57481981
4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane
CID 144534294
4,5-dibutyl-2H-triazole
CID 54195681
7-hexan-3-yl-5-methyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 57490893
1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
CID 175255669
1-butyl-5-pentan-3-yltriazole-4-carbaldehyde
CID 82205293
3,4,5-tributyl-1-methylpyrazole
CID 57481984
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
CID 79405405
1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride
CID 175195574

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole?
The IUPAC name of 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole (CID 174041396) is 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole.
What is the SMILES notation for 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole?
The canonical SMILES for 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole is CCCCc1nbn(C)c1C(CC)CCC.
What is the InChIKey of 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole?
The InChIKey is MKIUOKNTCFXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BN2/c1-5-8-10-12-13(16(4)14-15-12)11(7-3)9-6-2/h11H,5-10H2,1-4H3.
What are the key properties of 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole?
4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole has a molecular weight of 220.17 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole is sourced from PubChem (CID 174041396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).