boric acid;tris(N,N-dimethylcyclohexanamine)

C24H54BN3O3 — CID 172846334

IUPACboric acid;tris(N,N-dimethylcyclohexanamine)
SMILESCN(C)C1CCCCC1.CN(C)C1CCCCC1.CN(C)C1CCCCC1.OB(O)O
InChIInChI=1S/3C8H17N.BH3O3/c3*1-9(2)8-6-4-3-5-7-8;2-1(3)4/h3*8H,3-7H2,1-2H3;2-4H
InChIKeyXLXRVQMLRGZESR-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.59
Rot. Bonds3

About boric acid;tris(N,N-dimethylcyclohexanamine)

boric acid;tris(N,N-dimethylcyclohexanamine) (PubChem CID 172846334) has the molecular formula C24H54BN3O3 and a molecular weight of 443.53 g/mol. Its IUPAC name is boric acid;tris(N,N-dimethylcyclohexanamine).

Molecular Properties

Compound Nameboric acid;tris(N,N-dimethylcyclohexanamine)
PubChem CID172846334
Molecular FormulaC24H54BN3O3
Molecular Weight443.53 g/mol
Exact Mass443.43
IUPAC Nameboric acid;tris(N,N-dimethylcyclohexanamine)
SMILESCN(C)C1CCCCC1.CN(C)C1CCCCC1.CN(C)C1CCCCC1.OB(O)O
InChIInChI=1S/3C8H17N.BH3O3/c3*1-9(2)8-6-4-3-5-7-8;2-1(3)4/h3*8H,3-7H2,1-2H3;2-4H
InChIKeyXLXRVQMLRGZESR-UHFFFAOYSA-N
XLogP3.59
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzene;N,N-dimethylcyclohexanamine
CID 142054055
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CID 143165895
2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 158773918
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N,N-dimethylcyclohexanamine;pyridine
CID 122704912
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319
N-cyclopropyl-N-methylcyclohexanamine;hydrochloride
CID 67002847
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444

Frequently Asked Questions

What is the IUPAC name of boric acid;tris(N,N-dimethylcyclohexanamine)?
The IUPAC name of boric acid;tris(N,N-dimethylcyclohexanamine) (CID 172846334) is boric acid;tris(N,N-dimethylcyclohexanamine).
What is the SMILES notation for boric acid;tris(N,N-dimethylcyclohexanamine)?
The canonical SMILES for boric acid;tris(N,N-dimethylcyclohexanamine) is CN(C)C1CCCCC1.CN(C)C1CCCCC1.CN(C)C1CCCCC1.OB(O)O.
What is the InChIKey of boric acid;tris(N,N-dimethylcyclohexanamine)?
The InChIKey is XLXRVQMLRGZESR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17N.BH3O3/c3*1-9(2)8-6-4-3-5-7-8;2-1(3)4/h3*8H,3-7H2,1-2H3;2-4H.
What are the key properties of boric acid;tris(N,N-dimethylcyclohexanamine)?
boric acid;tris(N,N-dimethylcyclohexanamine) has a molecular weight of 443.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(N,N-dimethylcyclohexanamine) is sourced from PubChem (CID 172846334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).