azane;2,3-dibromo-3-methylnonadecane

C20H46Br2N2 — CID 172763746

IUPACazane;2,3-dibromo-3-methylnonadecane
SMILESCCCCCCCCCCCCCCCCC(C)(Br)C(C)Br.N.N
InChIInChI=1S/C20H40Br2.2H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,22)19(2)21;;/h19H,4-18H2,1-3H3;2*1H3
InChIKeyMAPMUXVGKYQMTN-UHFFFAOYSA-N
MW474.41 g/mol
LogP9.12
Rot. Bonds16

About azane;2,3-dibromo-3-methylnonadecane

azane;2,3-dibromo-3-methylnonadecane (PubChem CID 172763746) has the molecular formula C20H46Br2N2 and a molecular weight of 474.41 g/mol. Its IUPAC name is azane;2,3-dibromo-3-methylnonadecane.

Molecular Properties

Compound Nameazane;2,3-dibromo-3-methylnonadecane
PubChem CID172763746
Molecular FormulaC20H46Br2N2
Molecular Weight474.41 g/mol
Exact Mass472.20
IUPAC Nameazane;2,3-dibromo-3-methylnonadecane
SMILESCCCCCCCCCCCCCCCCC(C)(Br)C(C)Br.N.N
InChIInChI=1S/C20H40Br2.2H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,22)19(2)21;;/h19H,4-18H2,1-3H3;2*1H3
InChIKeyMAPMUXVGKYQMTN-UHFFFAOYSA-N
XLogP9.12
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2,3-dibromo-3-methylnonadecane?
The IUPAC name of azane;2,3-dibromo-3-methylnonadecane (CID 172763746) is azane;2,3-dibromo-3-methylnonadecane.
What is the SMILES notation for azane;2,3-dibromo-3-methylnonadecane?
The canonical SMILES for azane;2,3-dibromo-3-methylnonadecane is CCCCCCCCCCCCCCCCC(C)(Br)C(C)Br.N.N.
What is the InChIKey of azane;2,3-dibromo-3-methylnonadecane?
The InChIKey is MAPMUXVGKYQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40Br2.2H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,22)19(2)21;;/h19H,4-18H2,1-3H3;2*1H3.
What are the key properties of azane;2,3-dibromo-3-methylnonadecane?
azane;2,3-dibromo-3-methylnonadecane has a molecular weight of 474.41 g/mol, XLogP of 9.12, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dibromo-3-methylnonadecane is sourced from PubChem (CID 172763746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).