tris(2-methylpropylamino) borate

C12H30BN3O3 — CID 18764137

IUPACtris(2-methylpropylamino) borate
SMILESCC(C)CNOB(ONCC(C)C)ONCC(C)C
InChIInChI=1S/C12H30BN3O3/c1-10(2)7-14-17-13(18-15-8-11(3)4)19-16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3
InChIKeyGMLJPBWGPXEEJR-UHFFFAOYSA-N
MW275.20 g/mol
LogP1.50
Rot. Bonds12

About tris(2-methylpropylamino) borate

tris(2-methylpropylamino) borate (PubChem CID 18764137) has the molecular formula C12H30BN3O3 and a molecular weight of 275.20 g/mol. Its IUPAC name is tris(2-methylpropylamino) borate.

Molecular Properties

Compound Nametris(2-methylpropylamino) borate
PubChem CID18764137
Molecular FormulaC12H30BN3O3
Molecular Weight275.20 g/mol
Exact Mass275.24
IUPAC Nametris(2-methylpropylamino) borate
SMILESCC(C)CNOB(ONCC(C)C)ONCC(C)C
InChIInChI=1S/C12H30BN3O3/c1-10(2)7-14-17-13(18-15-8-11(3)4)19-16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3
InChIKeyGMLJPBWGPXEEJR-UHFFFAOYSA-N
XLogP1.50
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propan-2-yloxypropan-1-amine
CID 123783708
N-cyclopentyloxy-2-methylpropan-1-amine
CID 83229850
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
CID 175939227
CID 175939227
N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine
CID 18763880
1-(2-methylpropylamino)oxypropan-2-one
CID 23150488
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-(2-methylpropylamino)oxyacetamide
CID 112672654
methyl 2-(2-methylpropylamino)acetate
CID 22175789
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-(2-methylpropylamino)oxypentanal
CID 23150391
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropylamino) borate?
The IUPAC name of tris(2-methylpropylamino) borate (CID 18764137) is tris(2-methylpropylamino) borate.
What is the SMILES notation for tris(2-methylpropylamino) borate?
The canonical SMILES for tris(2-methylpropylamino) borate is CC(C)CNOB(ONCC(C)C)ONCC(C)C.
What is the InChIKey of tris(2-methylpropylamino) borate?
The InChIKey is GMLJPBWGPXEEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30BN3O3/c1-10(2)7-14-17-13(18-15-8-11(3)4)19-16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3.
What are the key properties of tris(2-methylpropylamino) borate?
tris(2-methylpropylamino) borate has a molecular weight of 275.20 g/mol, XLogP of 1.50, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropylamino) borate is sourced from PubChem (CID 18764137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).